1-bromo-2-chloro-1,1-difluoropropane

C3H4BrClF2 — CID 91578112

IUPAC1-bromo-2-chloro-1,1-difluoropropane
SMILESCC(Cl)C(F)(F)Br
InChIInChI=1S/C3H4BrClF2/c1-2(5)3(4,6)7/h2H,1H3
InChIKeyQHLNMUMNSSBPKI-UHFFFAOYSA-N
MW193.42 g/mol
LogP2.60
Rot. Bonds1

About 1-bromo-2-chloro-1,1-difluoropropane

1-bromo-2-chloro-1,1-difluoropropane (PubChem CID 91578112) has the molecular formula C3H4BrClF2 and a molecular weight of 193.42 g/mol. Its IUPAC name is 1-bromo-2-chloro-1,1-difluoropropane.

Molecular Properties

Compound Name1-bromo-2-chloro-1,1-difluoropropane
PubChem CID91578112
Molecular FormulaC3H4BrClF2
Molecular Weight193.42 g/mol
Exact Mass191.92
IUPAC Name1-bromo-2-chloro-1,1-difluoropropane
SMILESCC(Cl)C(F)(F)Br
InChIInChI=1S/C3H4BrClF2/c1-2(5)3(4,6)7/h2H,1H3
InChIKeyQHLNMUMNSSBPKI-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.42
LogP ≤ 52.60
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-bromo-2-chloro-1,1-difluorobutane
CID 91141499
1-bromo-1,1-difluoropropan-2-amine;hydrochloride
CID 87594720
2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)
CID 157404199
1,1,1,2-tetrachloropropane
CID 87557158
1-bromo-1-chloro-1-fluoroethane
CID 57450899
(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
CID 126498580
(1R)-1-bromo-1-chloroethane
CID 96570687
bromo-chloro-dimethylphosphanium
CID 23415191
3,3,4-trichloro-1,1,1-trifluoropentane
CID 167088156
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
1,3-dibromo-1,1,2,2-tetrafluorobutane
CID 91273956
(1S)-1-chloro-1-(trifluoromethoxy)ethane
CID 155273016

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-1,1-difluoropropane?
The IUPAC name of 1-bromo-2-chloro-1,1-difluoropropane (CID 91578112) is 1-bromo-2-chloro-1,1-difluoropropane.
What is the SMILES notation for 1-bromo-2-chloro-1,1-difluoropropane?
The canonical SMILES for 1-bromo-2-chloro-1,1-difluoropropane is CC(Cl)C(F)(F)Br.
What is the InChIKey of 1-bromo-2-chloro-1,1-difluoropropane?
The InChIKey is QHLNMUMNSSBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrClF2/c1-2(5)3(4,6)7/h2H,1H3.
What are the key properties of 1-bromo-2-chloro-1,1-difluoropropane?
1-bromo-2-chloro-1,1-difluoropropane has a molecular weight of 193.42 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-1,1-difluoropropane is sourced from PubChem (CID 91578112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).