1,1,1-trifluoro-3-methylpentane

C6H11F3 — CID 21020397

IUPAC1,1,1-trifluoro-3-methylpentane
SMILESCCC(C)CC(F)(F)F
InChIInChI=1S/C6H11F3/c1-3-5(2)4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyBJLHXROPECKRHX-UHFFFAOYSA-N
MW140.15 g/mol
LogP2.98
Rot. Bonds2

About 1,1,1-trifluoro-3-methylpentane

1,1,1-trifluoro-3-methylpentane (PubChem CID 21020397) has the molecular formula C6H11F3 and a molecular weight of 140.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methylpentane
PubChem CID21020397
Molecular FormulaC6H11F3
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name1,1,1-trifluoro-3-methylpentane
SMILESCCC(C)CC(F)(F)F
InChIInChI=1S/C6H11F3/c1-3-5(2)4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyBJLHXROPECKRHX-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
3-fluoro-3,5-dimethylheptane
CID 123257807
1,2,2-trifluoro-4-methylhexane
CID 145450268
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine
CID 115892026
N,2-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 123617319
2,2-difluoro-1-methoxy-4-methylhexane
CID 162613341
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methyldecane
CID 58901254
2,2,4-trimethylhexan-1-ol
CID 14747424
azane;2,2,4-trimethylhexane
CID 87634842
methane;2,2,4-trimethylhexane
CID 159659116
5-methyl-N-(4,4,4-trifluorobutan-2-yl)heptan-3-amine
CID 104860331

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methylpentane?
The IUPAC name of 1,1,1-trifluoro-3-methylpentane (CID 21020397) is 1,1,1-trifluoro-3-methylpentane.
What is the SMILES notation for 1,1,1-trifluoro-3-methylpentane?
The canonical SMILES for 1,1,1-trifluoro-3-methylpentane is CCC(C)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methylpentane?
The InChIKey is BJLHXROPECKRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3/c1-3-5(2)4-6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methylpentane?
1,1,1-trifluoro-3-methylpentane has a molecular weight of 140.15 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methylpentane is sourced from PubChem (CID 21020397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).