3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione

C24H30F6N2O4 — CID 89093809

IUPAC3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione
SMILESC=C1C(=O)N(CCCCOc2c(CCC)cc(C(O)(C(F)(F)F)C(F)(F)F)cc2CCC)C(=O)N1C
InChIInChI=1S/C24H30F6N2O4/c1-5-9-16-13-18(22(35,23(25,26)27)24(28,29)30)14-17(10-6-2)19(16)36-12-8-7-11-32-20(33)15(3)31(4)21(32)34/h13-14,35H,3,5-12H2,1-2,4H3
InChIKeySXLWFCBDYUVXKR-UHFFFAOYSA-N
MW524.50 g/mol
LogP5.47
Rot. Bonds11

About 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione

3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione (PubChem CID 89093809) has the molecular formula C24H30F6N2O4 and a molecular weight of 524.50 g/mol. Its IUPAC name is 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione
PubChem CID89093809
Molecular FormulaC24H30F6N2O4
Molecular Weight524.50 g/mol
Exact Mass524.21
IUPAC Name3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione
SMILESC=C1C(=O)N(CCCCOc2c(CCC)cc(C(O)(C(F)(F)F)C(F)(F)F)cc2CCC)C(=O)N1C
InChIInChI=1S/C24H30F6N2O4/c1-5-9-16-13-18(22(35,23(25,26)27)24(28,29)30)14-17(10-6-2)19(16)36-12-8-7-11-32-20(33)15(3)31(4)21(32)34/h13-14,35H,3,5-12H2,1-2,4H3
InChIKeySXLWFCBDYUVXKR-UHFFFAOYSA-N
XLogP5.47
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5,5-trimethyl-3-[4-[[4-propyl-1,1-bis(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]imidazolidine-2,4-dione
CID 57900823
CID 59235012
CID 59235012
3-[4-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-propylphenyloxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 24991075
3-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(methoxymethyl)oxypropan-2-yl]-2-propylphenyloxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 24991074
3-[4-[[4-ethyl-1,1-bis(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 57900787
3-[4-[[4,6-dipropyl-1,1-bis(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 57900788
1-methyl-3-[4-[[4-propyl-1,1-bis(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]imidazolidine-2,4-dione
CID 57900818
3-[4-[[4,6-dipropyl-1,1-bis(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]-1-methylimidazolidine-2,4-dione
CID 57900822
1-methyl-3-[4-[[1-methyl-4,6-dipropyl-1-(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]imidazolidine-2,4-dione
CID 57900824
3-[4-[[4,6-dipropyl-1,1-bis(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]-1,5-dimethylimidazolidine-2,4-dione
CID 57900837
3-[[3-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 59201032
3-[4-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenoxy]butyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 59234865

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione?
The IUPAC name of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione (CID 89093809) is 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione is C=C1C(=O)N(CCCCOc2c(CCC)cc(C(O)(C(F)(F)F)C(F)(F)F)cc2CCC)C(=O)N1C.
What is the InChIKey of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione?
The InChIKey is SXLWFCBDYUVXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F6N2O4/c1-5-9-16-13-18(22(35,23(25,26)27)24(28,29)30)14-17(10-6-2)19(16)36-12-8-7-11-32-20(33)15(3)31(4)21(32)34/h13-14,35H,3,5-12H2,1-2,4H3.
What are the key properties of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione?
3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione has a molecular weight of 524.50 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-1-methyl-5-methylideneimidazolidine-2,4-dione is sourced from PubChem (CID 89093809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).