1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane

C6H10ClF3O — CID 139683226

IUPAC1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane
SMILESCC(C)COC(F)(F)C(F)Cl
InChIInChI=1S/C6H10ClF3O/c1-4(2)3-11-6(9,10)5(7)8/h4-5H,3H2,1-2H3
InChIKeyNMSCOZOKMZGKHP-UHFFFAOYSA-N
MW190.59 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane

1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane (PubChem CID 139683226) has the molecular formula C6H10ClF3O and a molecular weight of 190.59 g/mol. Its IUPAC name is 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane.

Molecular Properties

Compound Name1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane
PubChem CID139683226
Molecular FormulaC6H10ClF3O
Molecular Weight190.59 g/mol
Exact Mass190.04
IUPAC Name1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane
SMILESCC(C)COC(F)(F)C(F)Cl
InChIInChI=1S/C6H10ClF3O/c1-4(2)3-11-6(9,10)5(7)8/h4-5H,3H2,1-2H3
InChIKeyNMSCOZOKMZGKHP-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.59
LogP ≤ 52.79
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

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane
CID 19797730
2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol
CID 162612061
1-chloro-3-(4-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
CID 88789392
2-chloro-1-(2-ethenoxyethoxy)-1,1,2-trifluoroethane
CID 12010754
3-ethyl-3-(2-methylpropoxy)pentane
CID 123413367
titanium;tris(2-methylpropoxy)methanol
CID 87320459
3-(1,1,2,2-tetrafluoroethoxymethyl)pentane
CID 139669688
1,1,1-trifluoro-4-(2-methylpropoxy)pentane
CID 170367964
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
1-(1,1-difluoroethoxy)-2-fluoropropane
CID 175617747
1,1,2-tris(2-methylpropoxy)ethanol;zirconium
CID 87320742

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane?
The IUPAC name of 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane (CID 139683226) is 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane.
What is the SMILES notation for 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane?
The canonical SMILES for 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane is CC(C)COC(F)(F)C(F)Cl.
What is the InChIKey of 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane?
The InChIKey is NMSCOZOKMZGKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF3O/c1-4(2)3-11-6(9,10)5(7)8/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane?
1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane has a molecular weight of 190.59 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane is sourced from PubChem (CID 139683226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).