1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol

C22H27F3O2 — CID 129119028

IUPAC1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol
SMILESC=C(C)c1ccc(C(C)(C)OC(C)(C)C(C)(O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C22H27F3O2/c1-14(2)15-12-13-18(17-11-9-8-10-16(15)17)19(3,4)27-20(5,6)21(7,26)22(23,24)25/h8-13,26H,1H2,2-7H3
InChIKeyLADWEGPRXSYVLF-UHFFFAOYSA-N
MW380.45 g/mol
LogP6.22
Rot. Bonds5

About 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol

1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol (PubChem CID 129119028) has the molecular formula C22H27F3O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol
PubChem CID129119028
Molecular FormulaC22H27F3O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol
SMILESC=C(C)c1ccc(C(C)(C)OC(C)(C)C(C)(O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C22H27F3O2/c1-14(2)15-12-13-18(17-11-9-8-10-16(15)17)19(3,4)27-20(5,6)21(7,26)22(23,24)25/h8-13,26H,1H2,2-7H3
InChIKeyLADWEGPRXSYVLF-UHFFFAOYSA-N
XLogP6.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol 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

2,6-Bis(2-hydroxy-2-propyl)naphthalene
CID 185558
2-(6-Propan-2-ylnaphthalen-2-yl)propan-2-ol
CID 186296
[(2R,6S)-6-naphthalen-2-yloxan-2-yl]methanol
CID 71458452
[(2R,6S)-6-naphthalen-1-yloxan-2-yl]methanol
CID 71458453
2-(2-Naphthyl)-1,2-propanediol
CID 156401
2-(3,3-Difluoro-1-methoxypropyl)naphthalene
CID 132514348
Anthryl-trifluoromethylethanol
CID 18003626
2-(Trifluoromethoxymethyl)naphthalene
CID 23627160
(R)-1,1,1-Trifluoro-2-(2-naphthyl)-2-propanol
CID 25129230
Naphthalene 2-(alpha-methyl-alpha-(trifluoromethyl)methanol)
CID 61645042
2-(1-Hydroperoxy-1-methylethyl)-6-(1-hydroxy-1-methylethyl)naphthalene
CID 13781870
2-[2,2-Difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene
CID 56837743

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol (CID 129119028) is 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol is C=C(C)c1ccc(C(C)(C)OC(C)(C)C(C)(O)C(F)(F)F)c2ccccc12.
What is the InChIKey of 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol?
The InChIKey is LADWEGPRXSYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3O2/c1-14(2)15-12-13-18(17-11-9-8-10-16(15)17)19(3,4)27-20(5,6)21(7,26)22(23,24)25/h8-13,26H,1H2,2-7H3.
What are the key properties of 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol?
1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol has a molecular weight of 380.45 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,3-dimethyl-3-[2-(4-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]butan-2-ol is sourced from PubChem (CID 129119028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).