1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane

C3HBrClF5O — CID 88618098

IUPAC1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane
SMILESFC(F)OC(Cl)(Br)C(F)(F)F
InChIInChI=1S/C3HBrClF5O/c4-2(5,3(8,9)10)11-1(6)7/h1H
InChIKeyUCMIMTJWLZSJIU-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.08
Rot. Bonds2

About 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane

1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane (PubChem CID 88618098) has the molecular formula C3HBrClF5O and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane.

Molecular Properties

Compound Name1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane
PubChem CID88618098
Molecular FormulaC3HBrClF5O
Molecular Weight263.39 g/mol
Exact Mass261.88
IUPAC Name1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane
SMILESFC(F)OC(Cl)(Br)C(F)(F)F
InChIInChI=1S/C3HBrClF5O/c4-2(5,3(8,9)10)11-1(6)7/h1H
InChIKeyUCMIMTJWLZSJIU-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane
CID 154092852
trichloro(difluoromethoxy)methane
CID 10986989
1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane
CID 150266243
1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane
CID 10948225
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
[2-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropyl] hypofluorite
CID 88556084
(1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
CID 51439994
2-(difluoromethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 58623366
1,2-dibromo-1,1-dichloro-2,2-difluoroethane
CID 2773960
1-bromo-1-chloro-1-fluoroethane
CID 57450899
1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane
CID 87502285
(2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane
CID 95036369

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane?
The IUPAC name of 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane (CID 88618098) is 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane.
What is the SMILES notation for 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane?
The canonical SMILES for 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane is FC(F)OC(Cl)(Br)C(F)(F)F.
What is the InChIKey of 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane?
The InChIKey is UCMIMTJWLZSJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrClF5O/c4-2(5,3(8,9)10)11-1(6)7/h1H.
What are the key properties of 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane?
1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane has a molecular weight of 263.39 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane is sourced from PubChem (CID 88618098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).