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

C3H2ClF5O — CID 3763

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IUPAC2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
SMILESFC(F)OC(Cl)C(F)(F)F
InChIInChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKeyPIWKPBJCKXDKJR-UHFFFAOYSA-N
MW184.49 g/mol
LogP2.35
Rot. Bonds2

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

2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane (PubChem CID 3763) has the molecular formula C3H2ClF5O and a molecular weight of 184.49 g/mol. Its IUPAC name is 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
PubChem CID3763
Molecular FormulaC3H2ClF5O
Molecular Weight184.49 g/mol
Exact Mass183.97
IUPAC Name2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
SMILESFC(F)OC(Cl)C(F)(F)F
InChIInChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKeyPIWKPBJCKXDKJR-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.49
LogP ≤ 52.35
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

Enflurane
CID 3226
(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
CID 4369440
Isoflurane, (R)-
CID 11095291
(R)-Enflurane
CID 11052326
Compound 485
CID 3082369
1-Chloro-2,2,2-trifluoroethyl ether
CID 21512356
1,1,2-Trifluoro-2-chloroethyl 2,2,2-trifluoroethyl ether
CID 2777088
2-Chloro-2-(chlorodifluoromethoxy)-1,1,1-trifluoroethane
CID 3478954
2-(Chlorofluoromethoxy)-1,1,1,2-tetrafluoroethane
CID 185860
1-Chloro-2-(trifluoromethoxy)ethane
CID 12846024
2-Chloro-1,1,1-trifluoro-2-methoxyethane
CID 21512358
2-Chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane
CID 88609692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane?
The IUPAC name of 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane (CID 3763) is 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane?
The canonical SMILES for 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane is FC(F)OC(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane?
The InChIKey is PIWKPBJCKXDKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H.
What are the key properties of 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane?
2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane has a molecular weight of 184.49 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane is sourced from PubChem (CID 3763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).