1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C10H6F8O — CID 103310549

IUPAC1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(c1ccc(F)cc1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F8O/c11-4-1-2-5(6(12)3-4)7(19)8(9(13,14)15)10(16,17)18/h1-3,7-8,19H
InChIKeyLHZAREGKIQJNAN-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.74
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 103310549) has the molecular formula C10H6F8O and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID103310549
Molecular FormulaC10H6F8O
Molecular Weight294.14 g/mol
Exact Mass294.03
IUPAC Name1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(c1ccc(F)cc1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F8O/c11-4-1-2-5(6(12)3-4)7(19)8(9(13,14)15)10(16,17)18/h1-3,7-8,19H
InChIKeyLHZAREGKIQJNAN-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluorophenyl)methanediol
CID 91089962
1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61086809
[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide
CID 157305929
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
1-(2,4-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873664
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031
2-(aminomethyl)-1-(2,4-difluorophenyl)butan-1-ol
CID 65187853
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
(2,4-difluorophenyl)methanediamine
CID 116939170
1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046035
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
1-(2,4-difluorophenyl)-2-methoxypentan-1-ol
CID 116711662

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 103310549) is 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is OC(c1ccc(F)cc1F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is LHZAREGKIQJNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8O/c11-4-1-2-5(6(12)3-4)7(19)8(9(13,14)15)10(16,17)18/h1-3,7-8,19H.
What are the key properties of 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 294.14 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103310549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).