1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea

C14H16F6N2O2 — CID 11646151

IUPAC1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H16F6N2O2/c1-4-22(11(23)21(2)3)10-7-5-9(6-8-10)12(24,13(15,16)17)14(18,19)20/h5-8,24H,4H2,1-3H3
InChIKeyLHANPBUTLZHWKW-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.51
Rot. Bonds3

About 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea

1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea (PubChem CID 11646151) has the molecular formula C14H16F6N2O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea
PubChem CID11646151
Molecular FormulaC14H16F6N2O2
Molecular Weight358.28 g/mol
Exact Mass358.11
IUPAC Name1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea
SMILESCCN(C(=O)N(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H16F6N2O2/c1-4-22(11(23)21(2)3)10-7-5-9(6-8-10)12(24,13(15,16)17)14(18,19)20/h5-8,24H,4H2,1-3H3
InChIKeyLHANPBUTLZHWKW-UHFFFAOYSA-N
XLogP3.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]urea
CID 21398150
ethyl N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcarbamate
CID 653465
3-[N-[ethyl(4-hydroxybutyl)carbamoyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanoic acid
CID 87798925
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmethanesulfonamide
CID 10154925
1-butyl-3,3-diethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiourea
CID 10137545
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
ethyl (2R)-2-[4-[ethoxycarbonyl(ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2249283
ethyl 2-[4-[ethoxycarbonyl(ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2829560
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
ethyl 2-[4-[ethyl-(4-fluorobenzoyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 3761867
2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid
CID 62639237

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea?
The IUPAC name of 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea (CID 11646151) is 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea.
What is the SMILES notation for 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea?
The canonical SMILES for 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea is CCN(C(=O)N(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea?
The InChIKey is LHANPBUTLZHWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6N2O2/c1-4-22(11(23)21(2)3)10-7-5-9(6-8-10)12(24,13(15,16)17)14(18,19)20/h5-8,24H,4H2,1-3H3.
What are the key properties of 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea?
1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea has a molecular weight of 358.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3,3-dimethylurea is sourced from PubChem (CID 11646151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).