3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane

C7H6ClF9O — CID 163434337

IUPAC3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
SMILESCC(CCl)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6ClF9O/c1-4(2-8,7(15,16)17)18-3(5(9,10)11)6(12,13)14/h3H,2H2,1H3
InChIKeyATDQUULSKQNINL-UHFFFAOYSA-N
MW312.56 g/mol
LogP4.06
Rot. Bonds3

About 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane

3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane (PubChem CID 163434337) has the molecular formula C7H6ClF9O and a molecular weight of 312.56 g/mol. Its IUPAC name is 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane.

Molecular Properties

Compound Name3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
PubChem CID163434337
Molecular FormulaC7H6ClF9O
Molecular Weight312.56 g/mol
Exact Mass312.00
IUPAC Name3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
SMILESCC(CCl)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6ClF9O/c1-4(2-8,7(15,16)17)18-3(5(9,10)11)6(12,13)14/h3H,2H2,1H3
InChIKeyATDQUULSKQNINL-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 54.06
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

3,3,3-trifluoro-2-methoxy-N,2-dimethylpropan-1-amine
CID 105434677
3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol
CID 102380901
1,1,1,3,3,3-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)propane
CID 11522280
1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane
CID 130434954
2-methyl-2-(1,2,2,2-tetrafluoroethoxy)propane
CID 161271475
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938
3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
CID 54448853
2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 170218800
2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane
CID 87586527
1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane
CID 23529534
1,1,1,3,3,5,5,5-octafluoro-4-methoxy-2-(trifluoromethyl)pentan-2-ol
CID 167070111
1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
CID 88558617

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane?
The IUPAC name of 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane (CID 163434337) is 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane.
What is the SMILES notation for 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane?
The canonical SMILES for 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane is CC(CCl)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane?
The InChIKey is ATDQUULSKQNINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF9O/c1-4(2-8,7(15,16)17)18-3(5(9,10)11)6(12,13)14/h3H,2H2,1H3.
What are the key properties of 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane?
3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane has a molecular weight of 312.56 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane is sourced from PubChem (CID 163434337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).