1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol

C13H16ClFO — CID 117358896

IUPAC1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(C)(F)c1ccc(CC2(O)CC2)c(Cl)c1
InChIInChI=1S/C13H16ClFO/c1-12(2,15)10-4-3-9(11(14)7-10)8-13(16)5-6-13/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyBDQYQITXVDNVGB-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.61
Rot. Bonds3

About 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol

1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117358896) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117358896
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(C)(F)c1ccc(CC2(O)CC2)c(Cl)c1
InChIInChI=1S/C13H16ClFO/c1-12(2,15)10-4-3-9(11(14)7-10)8-13(16)5-6-13/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyBDQYQITXVDNVGB-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
CID 117318601
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
CID 117332255
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 113471149
3-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]propanal
CID 117329588
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
CID 117302989
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
2-chloro-4-(2-fluoropropan-2-yl)-1-(isocyanatomethyl)benzene
CID 117327615
2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
CID 84662941

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol (CID 117358896) is 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol is CC(C)(F)c1ccc(CC2(O)CC2)c(Cl)c1.
What is the InChIKey of 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is BDQYQITXVDNVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-12(2,15)10-4-3-9(11(14)7-10)8-13(16)5-6-13/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 242.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117358896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).