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

C9H9F3O — CID 105425213

IUPAC2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
SMILESCC(F)(CO)c1cc(F)ccc1F
InChIInChI=1S/C9H9F3O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5H2,1H3
InChIKeyVFMWOGXDHBDHFL-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.14
Rot. Bonds2

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

2-(2,5-difluorophenyl)-2-fluoropropan-1-ol (PubChem CID 105425213) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
PubChem CID105425213
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
SMILESCC(F)(CO)c1cc(F)ccc1F
InChIInChI=1S/C9H9F3O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5H2,1H3
InChIKeyVFMWOGXDHBDHFL-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
4-amino-4-(2,5-difluorophenyl)pentan-1-ol
CID 116861706
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
CID 117047827
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
CID 130041449
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
CID 105426373
2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61047742
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol?
The IUPAC name of 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol (CID 105425213) is 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol is CC(F)(CO)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol?
The InChIKey is VFMWOGXDHBDHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-9(12,5-13)7-4-6(10)2-3-8(7)11/h2-4,13H,5H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol?
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol has a molecular weight of 190.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105425213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).