2-chloro-1,1,1-trifluoroethane;2-methylpropane

C6H12ClF3 — CID 161109938

IUPAC2-chloro-1,1,1-trifluoroethane;2-methylpropane
SMILESCC(C)C.FC(F)(F)CCl
InChIInChI=1S/C4H10.C2H2ClF3/c1-4(2)3;3-1-2(4,5)6/h4H,1-3H3;1H2
InChIKeyUJOCQOUIHCFVQS-UHFFFAOYSA-N
MW176.61 g/mol
LogP3.45
Rot. Bonds

About 2-chloro-1,1,1-trifluoroethane;2-methylpropane

2-chloro-1,1,1-trifluoroethane;2-methylpropane (PubChem CID 161109938) has the molecular formula C6H12ClF3 and a molecular weight of 176.61 g/mol. Its IUPAC name is 2-chloro-1,1,1-trifluoroethane;2-methylpropane.

Molecular Properties

Compound Name2-chloro-1,1,1-trifluoroethane;2-methylpropane
PubChem CID161109938
Molecular FormulaC6H12ClF3
Molecular Weight176.61 g/mol
Exact Mass176.06
IUPAC Name2-chloro-1,1,1-trifluoroethane;2-methylpropane
SMILESCC(C)C.FC(F)(F)CCl
InChIInChI=1S/C4H10.C2H2ClF3/c1-4(2)3;3-1-2(4,5)6/h4H,1-3H3;1H2
InChIKeyUJOCQOUIHCFVQS-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 53.45
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-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane
CID 157357085
fluoromethane;2-methylpropane;1,1,1-trifluoropropane
CID 161219441
1-chloro-3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane
CID 106706535
1,1,1-trichloro-6,6,6-trifluoro-3-methylhexane
CID 174826458
4-chloro-1,1,1,2,2-pentafluoro-3-methylbutane
CID 12613474
4-chloro-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 83186900
N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104555151
3,3,4-trichloro-1,1,1-trifluoropentane
CID 167088156
2-(chloromethoxy)-1,1,1-trifluoropropane
CID 55303779
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1-trifluoroethane;2-methylpropane?
The IUPAC name of 2-chloro-1,1,1-trifluoroethane;2-methylpropane (CID 161109938) is 2-chloro-1,1,1-trifluoroethane;2-methylpropane.
What is the SMILES notation for 2-chloro-1,1,1-trifluoroethane;2-methylpropane?
The canonical SMILES for 2-chloro-1,1,1-trifluoroethane;2-methylpropane is CC(C)C.FC(F)(F)CCl.
What is the InChIKey of 2-chloro-1,1,1-trifluoroethane;2-methylpropane?
The InChIKey is UJOCQOUIHCFVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H2ClF3/c1-4(2)3;3-1-2(4,5)6/h4H,1-3H3;1H2.
What are the key properties of 2-chloro-1,1,1-trifluoroethane;2-methylpropane?
2-chloro-1,1,1-trifluoroethane;2-methylpropane has a molecular weight of 176.61 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1-trifluoroethane;2-methylpropane is sourced from PubChem (CID 161109938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).