3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol

C12H14F2O — CID 115810816

IUPAC3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
SMILESOC(CCC1CC1)c1cccc(F)c1F
InChIInChI=1S/C12H14F2O/c13-10-3-1-2-9(12(10)14)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2
InChIKeyCFTWOKVJAPMNBQ-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.19
Rot. Bonds4

About 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol

3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol (PubChem CID 115810816) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
PubChem CID115810816
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
SMILESOC(CCC1CC1)c1cccc(F)c1F
InChIInChI=1S/C12H14F2O/c13-10-3-1-2-9(12(10)14)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2
InChIKeyCFTWOKVJAPMNBQ-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
CID 115810729
3-cyclopropyl-1-(2,6-difluorophenyl)propan-1-ol
CID 79522397
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797110
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
CID 105099608
1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine
CID 104995027
3-(2,3-difluorophenyl)-3-hydroxypropanoate
CID 19770355
3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol
CID 115810911
1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105099638
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol (CID 115810816) is 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol is OC(CCC1CC1)c1cccc(F)c1F.
What is the InChIKey of 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol?
The InChIKey is CFTWOKVJAPMNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c13-10-3-1-2-9(12(10)14)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2.
What are the key properties of 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol?
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol is sourced from PubChem (CID 115810816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).