(1R)-1-(3,4-difluorophenyl)propan-1-ol

C9H10F2O — CID 58995112

IUPAC(1R)-1-(3,4-difluorophenyl)propan-1-ol
SMILESCC[C@@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H10F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3/t9-/m1/s1
InChIKeyYODCHFWWRFXLGD-SECBINFHSA-N
MW172.17 g/mol
LogP2.41
Rot. Bonds2

About (1R)-1-(3,4-difluorophenyl)propan-1-ol

(1R)-1-(3,4-difluorophenyl)propan-1-ol (PubChem CID 58995112) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)propan-1-ol
PubChem CID58995112
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name(1R)-1-(3,4-difluorophenyl)propan-1-ol
SMILESCC[C@@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H10F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3/t9-/m1/s1
InChIKeyYODCHFWWRFXLGD-SECBINFHSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)propan-1-ol?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)propan-1-ol (CID 58995112) is (1R)-1-(3,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)propan-1-ol?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)propan-1-ol is CC[C@@H](O)c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)propan-1-ol?
The InChIKey is YODCHFWWRFXLGD-SECBINFHSA-N. The full InChI is InChI=1S/C9H10F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)propan-1-ol?
(1R)-1-(3,4-difluorophenyl)propan-1-ol has a molecular weight of 172.17 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 58995112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).