2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol

C14H18F2O — CID 114276080

IUPAC2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol
SMILESCCCC(O)(Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C14H18F2O/c1-2-7-14(17,11-4-5-11)9-10-3-6-12(15)13(16)8-10/h3,6,8,11,17H,2,4-5,7,9H2,1H3
InChIKeyYAXJUGSEMVILTP-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.45
Rot. Bonds5

About 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol

2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol (PubChem CID 114276080) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol
PubChem CID114276080
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol
SMILESCCCC(O)(Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C14H18F2O/c1-2-7-14(17,11-4-5-11)9-10-3-6-12(15)13(16)8-10/h3,6,8,11,17H,2,4-5,7,9H2,1H3
InChIKeyYAXJUGSEMVILTP-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol
CID 64919767
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol
CID 106506646
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol
CID 82934575
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984
1-[4-[4-[2-(3,4-difluorophenyl)-1,1-difluoroethyl]cyclohexyl]cyclohexyl]-2-fluoro-4-propylbenzene
CID 18344050
1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
CID 62802186
1,2-difluoro-4-propylbenzene;methane
CID 160697343

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol?
The IUPAC name of 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol (CID 114276080) is 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol is CCCC(O)(Cc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol?
The InChIKey is YAXJUGSEMVILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-2-7-14(17,11-4-5-11)9-10-3-6-12(15)13(16)8-10/h3,6,8,11,17H,2,4-5,7,9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol?
2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol has a molecular weight of 240.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol is sourced from PubChem (CID 114276080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).