1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane

C7H7F9O — CID 18378010

IUPAC1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane
SMILESCC(COC(F)(F)C(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-3(6(12,13)14)2-17-7(15,16)5(10,11)4(8)9/h3-4H,2H2,1H3
InChIKeyCCKXJWCZDQABMJ-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.69
Rot. Bonds5

About 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane

1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane (PubChem CID 18378010) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane
PubChem CID18378010
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane
SMILESCC(COC(F)(F)C(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-3(6(12,13)14)2-17-7(15,16)5(10,11)4(8)9/h3-4H,2H2,1H3
InChIKeyCCKXJWCZDQABMJ-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
CID 45459
1-Ethoxy-1,1,2,2-tetrafluoroethane
CID 120272
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
Ethyl perfluoroisobutyl ether
CID 205999
Ethoxynonafluorobutane
CID 206000
2-(1,1-Difluoroethoxy)-1,1,1-trifluoroethane
CID 11840937
1,1,2,2-Tetrafluoro-3-methoxypropane
CID 2783340
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
Bis(2,2,3,3-tetrafluoropropyl)ether
CID 12824699
Propyl 1,1,2,2-tetrafluoroethyl ether
CID 22005454
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane?
The IUPAC name of 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane (CID 18378010) is 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane?
The canonical SMILES for 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane is CC(COC(F)(F)C(F)(F)C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane?
The InChIKey is CCKXJWCZDQABMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-3(6(12,13)14)2-17-7(15,16)5(10,11)4(8)9/h3-4H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane?
1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane has a molecular weight of 278.11 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane is sourced from PubChem (CID 18378010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).