1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol

C12H12F6O2 — CID 174318334

IUPAC1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol
SMILESCOC(C(c1ccccc1)C(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F6O2/c1-20-10(12(16,17)18)8(9(19)11(13,14)15)7-5-3-2-4-6-7/h2-6,8-10,19H,1H3
InChIKeyZPXCPIBWAQUDAN-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.27
Rot. Bonds4

About 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol

1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol (PubChem CID 174318334) has the molecular formula C12H12F6O2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol
PubChem CID174318334
Molecular FormulaC12H12F6O2
Molecular Weight302.21 g/mol
Exact Mass302.07
IUPAC Name1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol
SMILESCOC(C(c1ccccc1)C(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F6O2/c1-20-10(12(16,17)18)8(9(19)11(13,14)15)7-5-3-2-4-6-7/h2-6,8-10,19H,1H3
InChIKeyZPXCPIBWAQUDAN-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-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

(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(2-bromo-2,2-difluoro-1-methoxyethyl)benzene
CID 165349696
methyl 2-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 68725831
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
CID 69396432
(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene
CID 176962079
3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine
CID 112548376
(1S)-1,2,2-triphenylethanol
CID 38988933
1,2,3-triphenylpropane-1,3-diol
CID 59738959
(1R,2S,3R,4S)-5,5,5-trifluoro-4-methyl-1-phenylpentane-1,2,3-triol
CID 139042519
3,3-dimethoxy-2-methyl-1-phenylpropane-1,2-diol
CID 85272252

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol (CID 174318334) is 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol is COC(C(c1ccccc1)C(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol?
The InChIKey is ZPXCPIBWAQUDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O2/c1-20-10(12(16,17)18)8(9(19)11(13,14)15)7-5-3-2-4-6-7/h2-6,8-10,19H,1H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol?
1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol has a molecular weight of 302.21 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol is sourced from PubChem (CID 174318334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).