(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone

C15H18BrFO — CID 114975920

IUPAC(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(F)c2Br)CC1
InChIInChI=1S/C15H18BrFO/c1-2-10-6-8-11(9-7-10)15(18)12-4-3-5-13(17)14(12)16/h3-5,10-11H,2,6-9H2,1H3
InChIKeyMHBPKBCZXXOQBZ-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.99
Rot. Bonds3

About (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone

(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone (PubChem CID 114975920) has the molecular formula C15H18BrFO and a molecular weight of 313.21 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
PubChem CID114975920
Molecular FormulaC15H18BrFO
Molecular Weight313.21 g/mol
Exact Mass312.05
IUPAC Name(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(F)c2Br)CC1
InChIInChI=1S/C15H18BrFO/c1-2-10-6-8-11(9-7-10)15(18)12-4-3-5-13(17)14(12)16/h3-5,10-11H,2,6-9H2,1H3
InChIKeyMHBPKBCZXXOQBZ-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114905882
(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975964
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83226850
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
CID 139638411
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone (CID 114975920) is (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2cccc(F)c2Br)CC1.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone?
The InChIKey is MHBPKBCZXXOQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO/c1-2-10-6-8-11(9-7-10)15(18)12-4-3-5-13(17)14(12)16/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone?
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone has a molecular weight of 313.21 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 114975920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).