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

C12H14F2O — CID 117302989

IUPAC1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(F)(F)c1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C12H14F2O/c1-11(13,14)10-4-2-9(3-5-10)8-12(15)6-7-12/h2-5,15H,6-8H2,1H3
InChIKeyRHXZGUOILUTAFQ-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.87
Rot. Bonds3

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

1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117302989) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117302989
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(F)(F)c1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C12H14F2O/c1-11(13,14)10-4-2-9(3-5-10)8-12(15)6-7-12/h2-5,15H,6-8H2,1H3
InChIKeyRHXZGUOILUTAFQ-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
CID 117325494
1-[(4-tert-butylphenyl)methyl]cycloheptan-1-ol
CID 65147243
4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146689
3-[4-[(1-hydroxycyclopropyl)methyl]phenyl]-3-methylbutanoic acid
CID 115112942
1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
CID 117332255
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
CID 117318601
1-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]cyclopropan-1-ol
CID 117313193
1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol
CID 117294984
3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154318
1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106874139
3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
CID 106823679

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol (CID 117302989) is 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol is CC(F)(F)c1ccc(CC2(O)CC2)cc1.
What is the InChIKey of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is RHXZGUOILUTAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-11(13,14)10-4-2-9(3-5-10)8-12(15)6-7-12/h2-5,15H,6-8H2,1H3.
What are the key properties of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol?
1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117302989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).