1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol

C13H17FO — CID 117297832

IUPAC1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(C)(F)c1cccc(CC2(O)CC2)c1
InChIInChI=1S/C13H17FO/c1-12(2,14)11-5-3-4-10(8-11)9-13(15)6-7-13/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyDNQAMHOSBDVNGC-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.96
Rot. Bonds3

About 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol

1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117297832) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117297832
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(C)(F)c1cccc(CC2(O)CC2)c1
InChIInChI=1S/C13H17FO/c1-12(2,14)11-5-3-4-10(8-11)9-13(15)6-7-13/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyDNQAMHOSBDVNGC-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol
CID 117111973
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-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine
CID 105478195
3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 168912860
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015
1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
CID 117325494
tert-butyl 3-hydroxy-3-[[3-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171963980

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol (CID 117297832) is 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol is CC(C)(F)c1cccc(CC2(O)CC2)c1.
What is the InChIKey of 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is DNQAMHOSBDVNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-12(2,14)11-5-3-4-10(8-11)9-13(15)6-7-13/h3-5,8,15H,6-7,9H2,1-2H3.
What are the key properties of 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117297832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).