2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane

C7H13BrClFO2 — CID 123569607

IUPAC2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane
SMILESCOC(C)(Br)C(F)(Cl)OC(C)C
InChIInChI=1S/C7H13BrClFO2/c1-5(2)12-7(9,10)6(3,8)11-4/h5H,1-4H3
InChIKeyLKTCCAGAUXLVGU-UHFFFAOYSA-N
MW263.53 g/mol
LogP3.03
Rot. Bonds4

About 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane

2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane (PubChem CID 123569607) has the molecular formula C7H13BrClFO2 and a molecular weight of 263.53 g/mol. Its IUPAC name is 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane.

Molecular Properties

Compound Name2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane
PubChem CID123569607
Molecular FormulaC7H13BrClFO2
Molecular Weight263.53 g/mol
Exact Mass261.98
IUPAC Name2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane
SMILESCOC(C)(Br)C(F)(Cl)OC(C)C
InChIInChI=1S/C7H13BrClFO2/c1-5(2)12-7(9,10)6(3,8)11-4/h5H,1-4H3
InChIKeyLKTCCAGAUXLVGU-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-1-chloro-1-fluoroethane
CID 57450899
(1R,2S)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane
CID 51440020
(1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane
CID 51556798
2-(trichloromethoxy)propane
CID 87418636
1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane
CID 20782608
2-chloro-2-fluoro-3-methylbutane
CID 88897527
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511
1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane
CID 10948225
2,2-dibromo-3-methylbutane
CID 13047634
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
1-bromo-2-chloro-1,1-difluoropropane
CID 91578112
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane?
The IUPAC name of 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane (CID 123569607) is 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane.
What is the SMILES notation for 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane?
The canonical SMILES for 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane is COC(C)(Br)C(F)(Cl)OC(C)C.
What is the InChIKey of 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane?
The InChIKey is LKTCCAGAUXLVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrClFO2/c1-5(2)12-7(9,10)6(3,8)11-4/h5H,1-4H3.
What are the key properties of 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane?
2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane has a molecular weight of 263.53 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane is sourced from PubChem (CID 123569607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).