2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene

C12H14BrF — CID 137459327

IUPAC2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene
SMILESCC(C)c1cc(F)cc(C2CC2)c1Br
InChIInChI=1S/C12H14BrF/c1-7(2)10-5-9(14)6-11(12(10)13)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyFETOEPFQKLTSSH-UHFFFAOYSA-N
MW257.15 g/mol
LogP4.59
Rot. Bonds2

About 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene

2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene (PubChem CID 137459327) has the molecular formula C12H14BrF and a molecular weight of 257.15 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene
PubChem CID137459327
Molecular FormulaC12H14BrF
Molecular Weight257.15 g/mol
Exact Mass256.03
IUPAC Name2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene
SMILESCC(C)c1cc(F)cc(C2CC2)c1Br
InChIInChI=1S/C12H14BrF/c1-7(2)10-5-9(14)6-11(12(10)13)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyFETOEPFQKLTSSH-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-5-chloro-1,3-dicyclopropylbenzene;2-tert-butyl-5-chloro-1,3-di(propan-2-yl)benzene;2-tert-butyl-5-fluoro-1,3-di(propan-2-yl)benzene
CID 158246047
4-(5-fluoro-2-propan-2-ylphenyl)piperidine
CID 84788145
4-bromo-5-cyclopropyl-3-propan-2-ylpyridazine
CID 153298582
4-chloro-2-cyclopropyl-3-fluoro-6-propan-2-ylaniline
CID 137443364
2-(5-aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol;2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide
CID 142522539
2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene
CID 164786407
4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine
CID 66660257
2-cyclohexyl-4-fluoroaniline
CID 15335253
2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 142522465
2-cyclopropyl-5-fluoro-4-propan-2-ylpyridine
CID 177051132
2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline
CID 131118932
5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene
CID 170013663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene?
The IUPAC name of 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene (CID 137459327) is 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene.
What is the SMILES notation for 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene?
The canonical SMILES for 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene is CC(C)c1cc(F)cc(C2CC2)c1Br.
What is the InChIKey of 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene?
The InChIKey is FETOEPFQKLTSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF/c1-7(2)10-5-9(14)6-11(12(10)13)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene?
2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene has a molecular weight of 257.15 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopropyl-5-fluoro-3-propan-2-ylbenzene is sourced from PubChem (CID 137459327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).