1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol

C11H11F5O — CID 79954433

IUPAC1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1cc(F)ccc1F
InChIInChI=1S/C11H11F5O/c12-8-1-2-10(13)7(5-8)6-9(17)3-4-11(14,15)16/h1-2,5,9,17H,3-4,6H2
InChIKeyAIQKOQIWQGMVKY-UHFFFAOYSA-N
MW254.20 g/mol
LogP3.21
Rot. Bonds4

About 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol

1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol (PubChem CID 79954433) has the molecular formula C11H11F5O and a molecular weight of 254.20 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
PubChem CID79954433
Molecular FormulaC11H11F5O
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1cc(F)ccc1F
InChIInChI=1S/C11H11F5O/c12-8-1-2-10(13)7(5-8)6-9(17)3-4-11(14,15)16/h1-2,5,9,17H,3-4,6H2
InChIKeyAIQKOQIWQGMVKY-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
[1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248918
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
1-butan-2-ylsulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 65136744
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol
CID 116660061
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol (CID 79954433) is 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol is OC(CCC(F)(F)F)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is AIQKOQIWQGMVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5O/c12-8-1-2-10(13)7(5-8)6-9(17)3-4-11(14,15)16/h1-2,5,9,17H,3-4,6H2.
What are the key properties of 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol?
1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 254.20 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 79954433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).