1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane

C7H10F6O — CID 162545991

IUPAC1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane
SMILESCCC(C)(CC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-5(2,4-6(8,9)10)14-7(11,12)13/h3-4H2,1-2H3
InChIKeyALFXDNNPNSIART-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.64
Rot. Bonds3

About 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane

1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane (PubChem CID 162545991) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane
PubChem CID162545991
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane
SMILESCCC(C)(CC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-5(2,4-6(8,9)10)14-7(11,12)13/h3-4H2,1-2H3
InChIKeyALFXDNNPNSIART-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3-Pentafluoro-2-methoxy-2-methylbutane
CID 23594540
3-(1,1-Difluoroethyl)-3-[3-(1,1-difluoroethyl)-2,2,4,4-tetrafluoropentan-3-yl]oxy-2,2,4,4-tetrafluoropentane
CID 57831802
1,1,1,2,2,4,4,5,5,5-Decafluoro-3-methoxy-3-methylpentane
CID 57831803
1-Fluoro-2-methyl-2-(trifluoromethoxy)propane
CID 58362313
3-Ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane
CID 59502999
1,1,1-Trifluoro-2-methoxy-2-(trifluoromethyl)pentane
CID 59734874
1,1,1-Trifluoro-2-methoxy-2-(trifluoromethyl)butane
CID 59734886
2,2,4,4-Tetrafluoro-3-methylpentan-3-ol
CID 85663142
2-Ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 87247398
3-(Difluoromethoxy)-3-(difluoromethyl)pentane
CID 89051331
3-(Difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane
CID 89145317
3-Methoxy-3-(trifluoromethyl)pentane
CID 89347830

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane?
The IUPAC name of 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane (CID 162545991) is 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane is CCC(C)(CC(F)(F)F)OC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane?
The InChIKey is ALFXDNNPNSIART-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-3-5(2,4-6(8,9)10)14-7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane?
1,1,1-trifluoro-3-methyl-3-(trifluoromethoxy)pentane has a molecular weight of 224.14 g/mol, XLogP of 3.64, 3 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-methyl-3-(trifluoromethoxy)pentane is sourced from PubChem (CID 162545991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).