1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol

C13H14F6O2 — CID 103312524

IUPAC1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol
SMILESCOc1ccc(CCC(O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H14F6O2/c1-21-9-5-2-8(3-6-9)4-7-10(20)11(12(14,15)16)13(17,18)19/h2-3,5-6,10-11,20H,4,7H2,1H3
InChIKeyGNVLEHYQXXVVPE-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.73
Rot. Bonds5

About 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol

1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol (PubChem CID 103312524) has the molecular formula C13H14F6O2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol
PubChem CID103312524
Molecular FormulaC13H14F6O2
Molecular Weight316.24 g/mol
Exact Mass316.09
IUPAC Name1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol
SMILESCOc1ccc(CCC(O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H14F6O2/c1-21-9-5-2-8(3-6-9)4-7-10(20)11(12(14,15)16)13(17,18)19/h2-3,5-6,10-11,20H,4,7H2,1H3
InChIKeyGNVLEHYQXXVVPE-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(4-methoxyphenyl)-4-methyloctan-3-ol
CID 114247161
3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
CID 79423809
(2S,3S)-1,1,1-trifluoro-5-(4-methoxyphenyl)-3-[(S)-phenylsulfinyl]pentan-2-ol
CID 11864701
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
CID 132937165
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol?
The IUPAC name of 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol (CID 103312524) is 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol is COc1ccc(CCC(O)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol?
The InChIKey is GNVLEHYQXXVVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6O2/c1-21-9-5-2-8(3-6-9)4-7-10(20)11(12(14,15)16)13(17,18)19/h2-3,5-6,10-11,20H,4,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol?
1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol has a molecular weight of 316.24 g/mol, XLogP of 3.73, 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-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol is sourced from PubChem (CID 103312524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).