1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol

C10H11F3O — CID 117292369

IUPAC1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
SMILESCC(O)Cc1cc(C(F)F)ccc1F
InChIInChI=1S/C10H11F3O/c1-6(14)4-8-5-7(10(12)13)2-3-9(8)11/h2-3,5-6,10,14H,4H2,1H3
InChIKeyCAQAABNOMCLMGZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.69
Rot. Bonds3

About 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol

1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol (PubChem CID 117292369) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
PubChem CID117292369
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
SMILESCC(O)Cc1cc(C(F)F)ccc1F
InChIInChI=1S/C10H11F3O/c1-6(14)4-8-5-7(10(12)13)2-3-9(8)11/h2-3,5-6,10,14H,4H2,1H3
InChIKeyCAQAABNOMCLMGZ-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
CID 117291412
1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117305547
1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738
1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 115527686
3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
1-(5-bromo-2-fluoro-4-methylphenyl)propan-2-ol
CID 117369420
1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol
CID 117289314
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol?
The IUPAC name of 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol (CID 117292369) is 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol.
What is the SMILES notation for 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol?
The canonical SMILES for 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol is CC(O)Cc1cc(C(F)F)ccc1F.
What is the InChIKey of 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol?
The InChIKey is CAQAABNOMCLMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-6(14)4-8-5-7(10(12)13)2-3-9(8)11/h2-3,5-6,10,14H,4H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol?
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol has a molecular weight of 204.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol is sourced from PubChem (CID 117292369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).