1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol

C14H18BrFO — CID 65147295

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2cc(Br)ccc2F)CCCCCC1
InChIInChI=1S/C14H18BrFO/c15-12-5-6-13(16)11(9-12)10-14(17)7-3-1-2-4-8-14/h5-6,9,17H,1-4,7-8,10H2
InChIKeySBRLWIKKGTVZRJ-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.22
Rot. Bonds2

About 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol

1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol (PubChem CID 65147295) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
PubChem CID65147295
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2cc(Br)ccc2F)CCCCCC1
InChIInChI=1S/C14H18BrFO/c15-12-5-6-13(16)11(9-12)10-14(17)7-3-1-2-4-8-14/h5-6,9,17H,1-4,7-8,10H2
InChIKeySBRLWIKKGTVZRJ-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
3-[(5-bromo-2-fluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 65146090
1-[(5-bromo-2-fluorophenyl)methyl]cyclooctane-1-carbonitrile
CID 80601577
1-[(5-bromo-2-fluorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377629
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 65389915
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65148904
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 66023748
5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147148

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol (CID 65147295) is 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol is OC1(Cc2cc(Br)ccc2F)CCCCCC1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol?
The InChIKey is SBRLWIKKGTVZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c15-12-5-6-13(16)11(9-12)10-14(17)7-3-1-2-4-8-14/h5-6,9,17H,1-4,7-8,10H2.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol?
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol has a molecular weight of 301.20 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65147295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).