(4R)-1-bromo-1-fluoro-4-methylhex-1-ene

C7H12BrF — CID 171049038

IUPAC(4R)-1-bromo-1-fluoro-4-methylhex-1-ene
SMILESCC[C@@H](C)CC=C(F)Br
InChIInChI=1S/C7H12BrF/c1-3-6(2)4-5-7(8)9/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyDHUZSZHDVPDNGE-ZCFIWIBFSA-N
MW195.07 g/mol
LogP3.63
Rot. Bonds3

About (4R)-1-bromo-1-fluoro-4-methylhex-1-ene

(4R)-1-bromo-1-fluoro-4-methylhex-1-ene (PubChem CID 171049038) has the molecular formula C7H12BrF and a molecular weight of 195.07 g/mol. Its IUPAC name is (4R)-1-bromo-1-fluoro-4-methylhex-1-ene.

Molecular Properties

Compound Name(4R)-1-bromo-1-fluoro-4-methylhex-1-ene
PubChem CID171049038
Molecular FormulaC7H12BrF
Molecular Weight195.07 g/mol
Exact Mass194.01
IUPAC Name(4R)-1-bromo-1-fluoro-4-methylhex-1-ene
SMILESCC[C@@H](C)CC=C(F)Br
InChIInChI=1S/C7H12BrF/c1-3-6(2)4-5-7(8)9/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyDHUZSZHDVPDNGE-ZCFIWIBFSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-Dibromo-3-fluoro-3,4-dimethylpent-1-ene
CID 58304981
1,1-Dibromo-4-methylhex-1-ene
CID 87074238
(4S)-1,1-dibromo-4-methylhex-1-ene
CID 89355525
1,1-Dibromo-4-ethylhex-1-ene
CID 126663824
1,1-Dibromo-3-ethylpent-1-ene
CID 130532124
sodium (4R)-1-bromo-1-fluoro-4-methylhex-1-ene
CID 171049037

Frequently Asked Questions

What is the IUPAC name of (4R)-1-bromo-1-fluoro-4-methylhex-1-ene?
The IUPAC name of (4R)-1-bromo-1-fluoro-4-methylhex-1-ene (CID 171049038) is (4R)-1-bromo-1-fluoro-4-methylhex-1-ene.
What is the SMILES notation for (4R)-1-bromo-1-fluoro-4-methylhex-1-ene?
The canonical SMILES for (4R)-1-bromo-1-fluoro-4-methylhex-1-ene is CC[C@@H](C)CC=C(F)Br.
What is the InChIKey of (4R)-1-bromo-1-fluoro-4-methylhex-1-ene?
The InChIKey is DHUZSZHDVPDNGE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12BrF/c1-3-6(2)4-5-7(8)9/h5-6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (4R)-1-bromo-1-fluoro-4-methylhex-1-ene?
(4R)-1-bromo-1-fluoro-4-methylhex-1-ene has a molecular weight of 195.07 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-bromo-1-fluoro-4-methylhex-1-ene is sourced from PubChem (CID 171049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).