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

C9H5F7O — CID 61086809

IUPAC1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1ccc(F)cc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F7O/c10-4-1-2-5(6(11)3-4)7(17)8(12,13)9(14,15)16/h1-3,7,17H
InChIKeySASTZWUMAVYBGF-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.20
Rot. Bonds2

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

1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol (PubChem CID 61086809) has the molecular formula C9H5F7O and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
PubChem CID61086809
Molecular FormulaC9H5F7O
Molecular Weight262.12 g/mol
Exact Mass262.02
IUPAC Name1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1ccc(F)cc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F7O/c10-4-1-2-5(6(11)3-4)7(17)8(12,13)9(14,15)16/h1-3,7,17H
InChIKeySASTZWUMAVYBGF-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
CID 61081494
(2,4-difluorophenyl)methanediol
CID 91089962
1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310549
1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046035
[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]azanide
CID 157305929
(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol
CID 162596340
sodium (2,4-difluorophenyl)-hydroxymethanesulfonate
CID 103574270
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
(2,4-difluorophenyl)methanediamine
CID 116939170
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
CID 144927611

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol (CID 61086809) is 1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol is OC(c1ccc(F)cc1F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol?
The InChIKey is SASTZWUMAVYBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F7O/c10-4-1-2-5(6(11)3-4)7(17)8(12,13)9(14,15)16/h1-3,7,17H.
What are the key properties of 1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol?
1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol has a molecular weight of 262.12 g/mol, XLogP of 3.20, 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)-2,2,3,3,3-pentafluoropropan-1-ol is sourced from PubChem (CID 61086809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).