1,2,2-trifluoro-4-methylhexane

C7H13F3 — CID 145450268

IUPAC1,2,2-trifluoro-4-methylhexane
SMILESCCC(C)CC(F)(F)CF
InChIInChI=1S/C7H13F3/c1-3-6(2)4-7(9,10)5-8/h6H,3-5H2,1-2H3
InChIKeyNBLUWRYYEFVPGQ-UHFFFAOYSA-N
MW154.17 g/mol
LogP3.03
Rot. Bonds4

About 1,2,2-trifluoro-4-methylhexane

1,2,2-trifluoro-4-methylhexane (PubChem CID 145450268) has the molecular formula C7H13F3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,2,2-trifluoro-4-methylhexane.

Molecular Properties

Compound Name1,2,2-trifluoro-4-methylhexane
PubChem CID145450268
Molecular FormulaC7H13F3
Molecular Weight154.17 g/mol
Exact Mass154.10
IUPAC Name1,2,2-trifluoro-4-methylhexane
SMILESCCC(C)CC(F)(F)CF
InChIInChI=1S/C7H13F3/c1-3-6(2)4-7(9,10)5-8/h6H,3-5H2,1-2H3
InChIKeyNBLUWRYYEFVPGQ-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoro-3-methylpentane
CID 21020397
2,2-difluoro-1-methoxy-4-methylhexane
CID 162613341
3-fluoro-3,5-dimethylheptane
CID 123257807
4,4-difluoro-2,6-dimethyloctanenitrile
CID 170628994
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methyldecane
CID 58901254
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
N-tert-butyl-2,4-dimethylhexan-2-amine
CID 90827522
2,2-difluorobutane;ethane;3-methylpentane
CID 145386582
5-fluoro-3-methylnonan-5-amine
CID 171524156
2-fluoro-4-methyl-2-propan-2-ylhexanamide
CID 139916528
1,4,4,7,7,8-hexafluorooctane-2-sulfonic acid
CID 123148805

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-4-methylhexane?
The IUPAC name of 1,2,2-trifluoro-4-methylhexane (CID 145450268) is 1,2,2-trifluoro-4-methylhexane.
What is the SMILES notation for 1,2,2-trifluoro-4-methylhexane?
The canonical SMILES for 1,2,2-trifluoro-4-methylhexane is CCC(C)CC(F)(F)CF.
What is the InChIKey of 1,2,2-trifluoro-4-methylhexane?
The InChIKey is NBLUWRYYEFVPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3/c1-3-6(2)4-7(9,10)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 1,2,2-trifluoro-4-methylhexane?
1,2,2-trifluoro-4-methylhexane has a molecular weight of 154.17 g/mol, XLogP of 3.03, 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-4-methylhexane is sourced from PubChem (CID 145450268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).