5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene

C12H15BrF2 — CID 58807411

IUPAC5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene
SMILESCC[C@@H](C)CCc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H15BrF2/c1-3-8(2)4-5-10-11(14)6-9(13)7-12(10)15/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyKUYQVLGKBZTCFN-MRVPVSSYSA-N
MW277.15 g/mol
LogP4.71
Rot. Bonds4

About 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene

5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene (PubChem CID 58807411) has the molecular formula C12H15BrF2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene
PubChem CID58807411
Molecular FormulaC12H15BrF2
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Name5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene
SMILESCC[C@@H](C)CCc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H15BrF2/c1-3-8(2)4-5-10-11(14)6-9(13)7-12(10)15/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyKUYQVLGKBZTCFN-MRVPVSSYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[3-fluoro-5-methyl-4-[(3S)-3-methylpentyl]phenyl]boronic acid
CID 58807415
1,3-dibromo-2-(3-methylpentyl)benzene
CID 59009897
5-bromo-1,3-difluoro-2-octylbenzene
CID 167507433
4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
CID 65468335
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
3-methyl-N-propyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
CID 65304342
N,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
CID 65303811
3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine
CID 170865550
5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene
CID 139192446
5-bromo-1,3-difluoro-2-methylbenzene;propane
CID 142352464
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
1,3,5-tris(4-methylhexyl)benzene
CID 101071559

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene (CID 58807411) is 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene is CC[C@@H](C)CCc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene?
The InChIKey is KUYQVLGKBZTCFN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15BrF2/c1-3-8(2)4-5-10-11(14)6-9(13)7-12(10)15/h6-8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene?
5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene has a molecular weight of 277.15 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene is sourced from PubChem (CID 58807411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).