(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

C16H20BrFO — CID 106647512

IUPAC(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)c2cccc(Br)c2F)CCCC1
InChIInChI=1S/C16H20BrFO/c1-11(2)10-16(8-3-4-9-16)15(19)12-6-5-7-13(17)14(12)18/h5-7,11H,3-4,8-10H2,1-2H3
InChIKeyMZZCUGSREAMHAA-UHFFFAOYSA-N
MW327.24 g/mol
LogP5.38
Rot. Bonds4

About (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 106647512) has the molecular formula C16H20BrFO and a molecular weight of 327.24 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID106647512
Molecular FormulaC16H20BrFO
Molecular Weight327.24 g/mol
Exact Mass326.07
IUPAC Name(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)c2cccc(Br)c2F)CCCC1
InChIInChI=1S/C16H20BrFO/c1-11(2)10-16(8-3-4-9-16)15(19)12-6-5-7-13(17)14(12)18/h5-7,11H,3-4,8-10H2,1-2H3
InChIKeyMZZCUGSREAMHAA-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.24
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970137
(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115351549
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106877039
2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106647185
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114962620
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
CID 107952814
3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one
CID 106647112
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 106647512) is (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is CC(C)CC1(C(=O)c2cccc(Br)c2F)CCCC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is MZZCUGSREAMHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFO/c1-11(2)10-16(8-3-4-9-16)15(19)12-6-5-7-13(17)14(12)18/h5-7,11H,3-4,8-10H2,1-2H3.
What are the key properties of (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 327.24 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 106647512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).