3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol

C13H16ClFO — CID 114860136

IUPAC3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1(Cc2ccc(Cl)cc2F)CCC(O)C1
InChIInChI=1S/C13H16ClFO/c1-13(5-4-11(16)8-13)7-9-2-3-10(14)6-12(9)15/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeyIFEGLZFDAITXKD-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.57
Rot. Bonds2

About 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol

3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol (PubChem CID 114860136) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
PubChem CID114860136
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1(Cc2ccc(Cl)cc2F)CCC(O)C1
InChIInChI=1S/C13H16ClFO/c1-13(5-4-11(16)8-13)7-9-2-3-10(14)6-12(9)15/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeyIFEGLZFDAITXKD-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116540101
3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116539896
3-[(5-chloro-2-fluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 103050496
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
1-[1-[(4-chloro-2-fluorophenyl)methyl]cyclopropyl]ethanone
CID 106797011
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450124
3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539573
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol (CID 114860136) is 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol is CC1(Cc2ccc(Cl)cc2F)CCC(O)C1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The InChIKey is IFEGLZFDAITXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-13(5-4-11(16)8-13)7-9-2-3-10(14)6-12(9)15/h2-3,6,11,16H,4-5,7-8H2,1H3.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol has a molecular weight of 242.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 114860136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).