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

C13H16BrFO — CID 116539896

IUPAC3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1(Cc2ccc(F)cc2Br)CCC(O)C1
InChIInChI=1S/C13H16BrFO/c1-13(5-4-11(16)8-13)7-9-2-3-10(15)6-12(9)14/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeySOFVPADCCYHNCT-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.68
Rot. Bonds2

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

3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol (PubChem CID 116539896) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
PubChem CID116539896
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1(Cc2ccc(F)cc2Br)CCC(O)C1
InChIInChI=1S/C13H16BrFO/c1-13(5-4-11(16)8-13)7-9-2-3-10(15)6-12(9)14/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeySOFVPADCCYHNCT-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.68
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-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 114860136
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
1-[(2-bromo-4-fluorophenyl)methyl]-3,3,5-trimethylcyclohexan-1-ol
CID 65147475
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
4-[(2-bromo-4-fluorophenyl)methyl]-2-methyloxan-4-ol
CID 65149577
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65393451
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65401281
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65415116
2-[(2-bromo-4-fluorophenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020759
3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 116539985

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol (CID 116539896) is 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol is CC1(Cc2ccc(F)cc2Br)CCC(O)C1.
What is the InChIKey of 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The InChIKey is SOFVPADCCYHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c1-13(5-4-11(16)8-13)7-9-2-3-10(15)6-12(9)14/h2-3,6,11,16H,4-5,7-8H2,1H3.
What are the key properties of 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol has a molecular weight of 287.17 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 116539896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).