3-(bromomethyl)-1,1-difluoro-3-methylpentane

C7H13BrF2 — CID 165443659

IUPAC3-(bromomethyl)-1,1-difluoro-3-methylpentane
SMILESCCC(C)(CBr)CC(F)F
InChIInChI=1S/C7H13BrF2/c1-3-7(2,5-8)4-6(9)10/h6H,3-5H2,1-2H3
InChIKeyLRWXTAGBNRCDGN-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.45
Rot. Bonds4

About 3-(bromomethyl)-1,1-difluoro-3-methylpentane

3-(bromomethyl)-1,1-difluoro-3-methylpentane (PubChem CID 165443659) has the molecular formula C7H13BrF2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 3-(bromomethyl)-1,1-difluoro-3-methylpentane.

Molecular Properties

Compound Name3-(bromomethyl)-1,1-difluoro-3-methylpentane
PubChem CID165443659
Molecular FormulaC7H13BrF2
Molecular Weight215.08 g/mol
Exact Mass214.02
IUPAC Name3-(bromomethyl)-1,1-difluoro-3-methylpentane
SMILESCCC(C)(CBr)CC(F)F
InChIInChI=1S/C7H13BrF2/c1-3-7(2,5-8)4-6(9)10/h6H,3-5H2,1-2H3
InChIKeyLRWXTAGBNRCDGN-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.45
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

1,1-difluoro-3,3-dimethylpentane
CID 170027103
ethane;3-ethyl-3-methylpentane
CID 158904304
1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane
CID 165445799
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
1-bromo-2-methyl-2-(2-methylpropoxymethyl)butane
CID 165447149
1-bromo-2-(bromomethyl)-2,4-dimethylheptane
CID 79453962
1-bromo-3,5-diethyl-5-methylheptane
CID 142522205
3-(bromomethyl)-1-ethylsulfonyl-3-methylpentane
CID 66049607
4-(bromomethyl)-2,3,4-trimethylhexane
CID 131230810
3-ethyl-3-methylpentane-1,1-diol
CID 23586221
1,1-difluoro-4,4-dimethylhexane
CID 170227321
ethane;4-fluoro-2,2-dimethylhexane
CID 166536909

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1,1-difluoro-3-methylpentane?
The IUPAC name of 3-(bromomethyl)-1,1-difluoro-3-methylpentane (CID 165443659) is 3-(bromomethyl)-1,1-difluoro-3-methylpentane.
What is the SMILES notation for 3-(bromomethyl)-1,1-difluoro-3-methylpentane?
The canonical SMILES for 3-(bromomethyl)-1,1-difluoro-3-methylpentane is CCC(C)(CBr)CC(F)F.
What is the InChIKey of 3-(bromomethyl)-1,1-difluoro-3-methylpentane?
The InChIKey is LRWXTAGBNRCDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrF2/c1-3-7(2,5-8)4-6(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 3-(bromomethyl)-1,1-difluoro-3-methylpentane?
3-(bromomethyl)-1,1-difluoro-3-methylpentane has a molecular weight of 215.08 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1,1-difluoro-3-methylpentane is sourced from PubChem (CID 165443659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).