(4R)-3-bromo-4-chloroheptane

C7H14BrCl — CID 138653502

IUPAC(4R)-3-bromo-4-chloroheptane
SMILESCCC[C@@H](Cl)C(Br)CC
InChIInChI=1S/C7H14BrCl/c1-3-5-7(9)6(8)4-2/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyKHMHPEGZFUOYLK-COBSHVIPSA-N
MW213.55 g/mol
LogP3.57
Rot. Bonds4

About (4R)-3-bromo-4-chloroheptane

(4R)-3-bromo-4-chloroheptane (PubChem CID 138653502) has the molecular formula C7H14BrCl and a molecular weight of 213.55 g/mol. Its IUPAC name is (4R)-3-bromo-4-chloroheptane.

Molecular Properties

Compound Name(4R)-3-bromo-4-chloroheptane
PubChem CID138653502
Molecular FormulaC7H14BrCl
Molecular Weight213.55 g/mol
Exact Mass212.00
IUPAC Name(4R)-3-bromo-4-chloroheptane
SMILESCCC[C@@H](Cl)C(Br)CC
InChIInChI=1S/C7H14BrCl/c1-3-5-7(9)6(8)4-2/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyKHMHPEGZFUOYLK-COBSHVIPSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.55
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-methylheptane
CID 54215050
(3S,4S)-3,4-dibromohexane
CID 98087028
3-bromohexane
CID 18806
4-bromo-5-propyloctane
CID 83050425
(2R,3R)-3-chlorohexane-1,2-diol
CID 13429724
4-bromo-3-(bromomethyl)heptane
CID 131843184
3-chloro-2-nitrosohexane
CID 24821132
(4S,5S)-5-bromooctan-4-ol
CID 101139699
4-bromo-2,3-dimethylheptane
CID 83051461
1-bromobutylsilane
CID 174507428
1-bromo-1-iodobutane
CID 22138270
3-bromo-4-methyldecane
CID 63560897

Frequently Asked Questions

What is the IUPAC name of (4R)-3-bromo-4-chloroheptane?
The IUPAC name of (4R)-3-bromo-4-chloroheptane (CID 138653502) is (4R)-3-bromo-4-chloroheptane.
What is the SMILES notation for (4R)-3-bromo-4-chloroheptane?
The canonical SMILES for (4R)-3-bromo-4-chloroheptane is CCC[C@@H](Cl)C(Br)CC.
What is the InChIKey of (4R)-3-bromo-4-chloroheptane?
The InChIKey is KHMHPEGZFUOYLK-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14BrCl/c1-3-5-7(9)6(8)4-2/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of (4R)-3-bromo-4-chloroheptane?
(4R)-3-bromo-4-chloroheptane has a molecular weight of 213.55 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-bromo-4-chloroheptane is sourced from PubChem (CID 138653502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).