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

C11H14F2O — CID 117289314

IUPAC1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol
SMILESCc1ccc(C(F)F)c(CC(C)O)c1
InChIInChI=1S/C11H14F2O/c1-7-3-4-10(11(12)13)9(5-7)6-8(2)14/h3-5,8,11,14H,6H2,1-2H3
InChIKeyHLKZTCSIPBVBDK-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.86
Rot. Bonds3

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

1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol (PubChem CID 117289314) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol
PubChem CID117289314
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol
SMILESCc1ccc(C(F)F)c(CC(C)O)c1
InChIInChI=1S/C11H14F2O/c1-7-3-4-10(11(12)13)9(5-7)6-8(2)14/h3-5,8,11,14H,6H2,1-2H3
InChIKeyHLKZTCSIPBVBDK-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine
CID 117280695
1-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-2-ol
CID 117362158
1-(5-methyl-2-piperidin-1-ylphenyl)propan-2-ol
CID 117339203
2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one
CID 84679608
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
CID 117292369
1-[2-(2-hydroxyethyl)-4-methylphenyl]ethanol
CID 23401794
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
1-bromo-3-[2-(difluoromethyl)-4-methylphenyl]propan-2-one
CID 134616126
3-[2-(difluoromethyl)-5-methylphenyl]butan-1-amine
CID 117304369
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
2-chloro-1-[2-(difluoromethyl)-4-methylphenyl]propan-1-one
CID 131415282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol?
The IUPAC name of 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol (CID 117289314) is 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol?
The canonical SMILES for 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol is Cc1ccc(C(F)F)c(CC(C)O)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol?
The InChIKey is HLKZTCSIPBVBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7-3-4-10(11(12)13)9(5-7)6-8(2)14/h3-5,8,11,14H,6H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol?
1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol has a molecular weight of 200.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol is sourced from PubChem (CID 117289314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).