1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol

C14H18F2O — CID 79862217

IUPAC1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2O/c1-13(2)6-3-7-14(13,17)9-10-4-5-11(15)8-12(10)16/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyZKTOQMBLUHUHSD-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.45
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol

1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79862217) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79862217
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2O/c1-13(2)6-3-7-14(13,17)9-10-4-5-11(15)8-12(10)16/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyZKTOQMBLUHUHSD-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79853110
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 107883637
3-[(2,4-difluorophenyl)methyl]-5,5-dimethylthian-3-ol
CID 79946811
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873605
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 65149503
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116929823
1-[(2,4-difluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65376601

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol (CID 79862217) is 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol is CC1(C)CCCC1(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is ZKTOQMBLUHUHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-13(2)6-3-7-14(13,17)9-10-4-5-11(15)8-12(10)16/h4-5,8,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 240.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79862217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).