1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol

C13H16F2O — CID 117325494

IUPAC1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(F)(F)Cc1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C13H16F2O/c1-12(14,15)8-10-2-4-11(5-3-10)9-13(16)6-7-13/h2-5,16H,6-9H2,1H3
InChIKeyJQERTKWAWCYUNE-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.95
Rot. Bonds4

About 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol

1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117325494) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117325494
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(F)(F)Cc1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C13H16F2O/c1-12(14,15)8-10-2-4-11(5-3-10)9-13(16)6-7-13/h2-5,16H,6-9H2,1H3
InChIKeyJQERTKWAWCYUNE-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
CID 117302989
1-[(4-tert-butylphenyl)methyl]cycloheptan-1-ol
CID 65147243
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
3-[4-[(1-hydroxycyclopropyl)methyl]phenyl]-3-methylbutanoic acid
CID 115112942
1-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]cyclopropan-1-ol
CID 117313193
1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol
CID 117294984
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 117310114
4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146689
1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339086
1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol
CID 117313196

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol (CID 117325494) is 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol is CC(F)(F)Cc1ccc(CC2(O)CC2)cc1.
What is the InChIKey of 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is JQERTKWAWCYUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-12(14,15)8-10-2-4-11(5-3-10)9-13(16)6-7-13/h2-5,16H,6-9H2,1H3.
What are the key properties of 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol?
1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117325494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).