3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol

C9H7F5O — CID 62962606

IUPAC3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1ccc(F)cc1F)C(F)(F)F
InChIInChI=1S/C9H7F5O/c10-6-2-1-5(7(11)4-6)3-8(15)9(12,13)14/h1-2,4,8,15H,3H2
InChIKeyUOIOGXQRNCPMOO-UHFFFAOYSA-N
MW226.14 g/mol
LogP2.43
Rot. Bonds2

About 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol

3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 62962606) has the molecular formula C9H7F5O and a molecular weight of 226.14 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID62962606
Molecular FormulaC9H7F5O
Molecular Weight226.14 g/mol
Exact Mass226.04
IUPAC Name3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1ccc(F)cc1F)C(F)(F)F
InChIInChI=1S/C9H7F5O/c10-6-2-1-5(7(11)4-6)3-8(15)9(12,13)14/h1-2,4,8,15H,3H2
InChIKeyUOIOGXQRNCPMOO-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311785
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol (CID 62962606) is 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol is OC(Cc1ccc(F)cc1F)C(F)(F)F.
What is the InChIKey of 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is UOIOGXQRNCPMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O/c10-6-2-1-5(7(11)4-6)3-8(15)9(12,13)14/h1-2,4,8,15H,3H2.
What are the key properties of 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol?
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 226.14 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 62962606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).