1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol

C12H13F3O — CID 117332255

IUPAC1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
SMILESCC(F)(F)c1ccc(F)c(CC2(O)CC2)c1
InChIInChI=1S/C12H13F3O/c1-11(14,15)9-2-3-10(13)8(6-9)7-12(16)4-5-12/h2-3,6,16H,4-5,7H2,1H3
InChIKeyWBYIYLREEKTMTG-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.00
Rot. Bonds3

About 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol

1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol (PubChem CID 117332255) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
PubChem CID117332255
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
SMILESCC(F)(F)c1ccc(F)c(CC2(O)CC2)c1
InChIInChI=1S/C12H13F3O/c1-11(14,15)9-2-3-10(13)8(6-9)7-12(16)4-5-12/h2-3,6,16H,4-5,7H2,1H3
InChIKeyWBYIYLREEKTMTG-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
CID 117318601
1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
CID 117302989
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117358896
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117332594
1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409978
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339844
2-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]pyrrolidine
CID 117359803
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol (CID 117332255) is 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol is CC(F)(F)c1ccc(F)c(CC2(O)CC2)c1.
What is the InChIKey of 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol?
The InChIKey is WBYIYLREEKTMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-11(14,15)9-2-3-10(13)8(6-9)7-12(16)4-5-12/h2-3,6,16H,4-5,7H2,1H3.
What are the key properties of 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol?
1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol has a molecular weight of 230.23 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117332255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).