2,3,3-trifluoro-4-methylhexane

C7H13F3 — CID 19937067

IUPAC2,3,3-trifluoro-4-methylhexane
SMILESCCC(C)C(F)(F)C(C)F
InChIInChI=1S/C7H13F3/c1-4-5(2)7(9,10)6(3)8/h5-6H,4H2,1-3H3
InChIKeyBWFGHGRSMGKJTO-UHFFFAOYSA-N
MW154.17 g/mol
LogP3.03
Rot. Bonds3

About 2,3,3-trifluoro-4-methylhexane

2,3,3-trifluoro-4-methylhexane (PubChem CID 19937067) has the molecular formula C7H13F3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,3,3-trifluoro-4-methylhexane.

Molecular Properties

Compound Name2,3,3-trifluoro-4-methylhexane
PubChem CID19937067
Molecular FormulaC7H13F3
Molecular Weight154.17 g/mol
Exact Mass154.10
IUPAC Name2,3,3-trifluoro-4-methylhexane
SMILESCCC(C)C(F)(F)C(C)F
InChIInChI=1S/C7H13F3/c1-4-5(2)7(9,10)6(3)8/h5-6H,4H2,1-3H3
InChIKeyBWFGHGRSMGKJTO-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-4-methylhexane?
The IUPAC name of 2,3,3-trifluoro-4-methylhexane (CID 19937067) is 2,3,3-trifluoro-4-methylhexane.
What is the SMILES notation for 2,3,3-trifluoro-4-methylhexane?
The canonical SMILES for 2,3,3-trifluoro-4-methylhexane is CCC(C)C(F)(F)C(C)F.
What is the InChIKey of 2,3,3-trifluoro-4-methylhexane?
The InChIKey is BWFGHGRSMGKJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3/c1-4-5(2)7(9,10)6(3)8/h5-6H,4H2,1-3H3.
What are the key properties of 2,3,3-trifluoro-4-methylhexane?
2,3,3-trifluoro-4-methylhexane has a molecular weight of 154.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-4-methylhexane is sourced from PubChem (CID 19937067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).