1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol

C14H18F2O — CID 64513612

IUPAC1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C14H18F2O/c1-2-10-5-6-14(17,8-10)9-11-3-4-12(15)7-13(11)16/h3-4,7,10,17H,2,5-6,8-9H2,1H3
InChIKeyNZUIQNZUFDMLSS-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.45
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol

1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol (PubChem CID 64513612) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
PubChem CID64513612
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C14H18F2O/c1-2-10-5-6-14(17,8-10)9-11-3-4-12(15)7-13(11)16/h3-4,7,10,17H,2,5-6,8-9H2,1H3
InChIKeyNZUIQNZUFDMLSS-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65394534
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
CID 113453697
1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759664
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 114346880
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65415116
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol (CID 64513612) is 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol is CCC1CCC(O)(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol?
The InChIKey is NZUIQNZUFDMLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-2-10-5-6-14(17,8-10)9-11-3-4-12(15)7-13(11)16/h3-4,7,10,17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol?
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol has a molecular weight of 240.29 g/mol, XLogP of 3.45, 3 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]-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 64513612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).