2-bromo-3-chloro-1,1,1,2-tetrafluoropropane

C3H2BrClF4 — CID 175694504

IUPAC2-bromo-3-chloro-1,1,1,2-tetrafluoropropane
SMILESFC(F)(F)C(F)(Br)CCl
InChIInChI=1S/C3H2BrClF4/c4-2(6,1-5)3(7,8)9/h1H2
InChIKeyKUZPNKWNGOXZRQ-UHFFFAOYSA-N
MW229.40 g/mol
LogP2.85
Rot. Bonds1

About 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane

2-bromo-3-chloro-1,1,1,2-tetrafluoropropane (PubChem CID 175694504) has the molecular formula C3H2BrClF4 and a molecular weight of 229.40 g/mol. Its IUPAC name is 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane.

Molecular Properties

Compound Name2-bromo-3-chloro-1,1,1,2-tetrafluoropropane
PubChem CID175694504
Molecular FormulaC3H2BrClF4
Molecular Weight229.40 g/mol
Exact Mass227.90
IUPAC Name2-bromo-3-chloro-1,1,1,2-tetrafluoropropane
SMILESFC(F)(F)C(F)(Br)CCl
InChIInChI=1S/C3H2BrClF4/c4-2(6,1-5)3(7,8)9/h1H2
InChIKeyKUZPNKWNGOXZRQ-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 52.85
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

2-bromo-2,3,3,3-tetrafluoropropan-1-ol
CID 13327478
1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
CID 158764810
1,3-dibromo-4-chloro-1,1-difluorobutane
CID 11822246
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220
2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane
CID 175096082
3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane
CID 23236256
chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane
CID 157372946
ethyl 2-bromo-2-(chloromethyl)-3,3,3-trifluoropropanoate
CID 139915700
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938
2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
CID 151942981
1,2-dibromo-1,1-dichloro-2,2-difluoroethane
CID 2773960

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane?
The IUPAC name of 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane (CID 175694504) is 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane.
What is the SMILES notation for 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane?
The canonical SMILES for 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane is FC(F)(F)C(F)(Br)CCl.
What is the InChIKey of 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane?
The InChIKey is KUZPNKWNGOXZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrClF4/c4-2(6,1-5)3(7,8)9/h1H2.
What are the key properties of 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane?
2-bromo-3-chloro-1,1,1,2-tetrafluoropropane has a molecular weight of 229.40 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-1,1,1,2-tetrafluoropropane is sourced from PubChem (CID 175694504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).