1,2,2-trifluoro-3-(fluoromethyl)pentane

C6H10F4 — CID 162612958

IUPAC1,2,2-trifluoro-3-(fluoromethyl)pentane
SMILESCCC(CF)C(F)(F)CF
InChIInChI=1S/C6H10F4/c1-2-5(3-7)6(9,10)4-8/h5H,2-4H2,1H3
InChIKeyHVYCMTCFWGBZNH-UHFFFAOYSA-N
MW158.14 g/mol
LogP2.59
Rot. Bonds4

About 1,2,2-trifluoro-3-(fluoromethyl)pentane

1,2,2-trifluoro-3-(fluoromethyl)pentane (PubChem CID 162612958) has the molecular formula C6H10F4 and a molecular weight of 158.14 g/mol. Its IUPAC name is 1,2,2-trifluoro-3-(fluoromethyl)pentane.

Molecular Properties

Compound Name1,2,2-trifluoro-3-(fluoromethyl)pentane
PubChem CID162612958
Molecular FormulaC6H10F4
Molecular Weight158.14 g/mol
Exact Mass158.07
IUPAC Name1,2,2-trifluoro-3-(fluoromethyl)pentane
SMILESCCC(CF)C(F)(F)CF
InChIInChI=1S/C6H10F4/c1-2-5(3-7)6(9,10)4-8/h5H,2-4H2,1H3
InChIKeyHVYCMTCFWGBZNH-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-diethyl-4,4-difluoroheptane
CID 137390783
1,3,3-trifluoro-2-(fluoromethyl)butane
CID 13207097
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
2-(trifluoromethyl)butan-1-amine
CID 10351789
(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 170263516
3-ethyl-2,2-difluorohexane
CID 155700319
(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane
CID 156674441
3-ethoxy-1,2,2,4-tetrafluoropentane
CID 57247223
1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane
CID 143403547
4-ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
1,1,1,2,2-pentafluoroethane;1,1,2,2,3-pentafluoropropane
CID 157410254
3-ethyl-2,2-difluoropentanoic acid
CID 53443922

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-3-(fluoromethyl)pentane?
The IUPAC name of 1,2,2-trifluoro-3-(fluoromethyl)pentane (CID 162612958) is 1,2,2-trifluoro-3-(fluoromethyl)pentane.
What is the SMILES notation for 1,2,2-trifluoro-3-(fluoromethyl)pentane?
The canonical SMILES for 1,2,2-trifluoro-3-(fluoromethyl)pentane is CCC(CF)C(F)(F)CF.
What is the InChIKey of 1,2,2-trifluoro-3-(fluoromethyl)pentane?
The InChIKey is HVYCMTCFWGBZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4/c1-2-5(3-7)6(9,10)4-8/h5H,2-4H2,1H3.
What are the key properties of 1,2,2-trifluoro-3-(fluoromethyl)pentane?
1,2,2-trifluoro-3-(fluoromethyl)pentane has a molecular weight of 158.14 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-3-(fluoromethyl)pentane is sourced from PubChem (CID 162612958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).