3-(trifluoromethyl)heptane

C8H15F3 — CID 19902919

IUPAC3-(trifluoromethyl)heptane
SMILESCCCCC(CC)C(F)(F)F
InChIInChI=1S/C8H15F3/c1-3-5-6-7(4-2)8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyDVSBKZBDFNQMAF-UHFFFAOYSA-N
MW168.20 g/mol
LogP3.77
Rot. Bonds4

About 3-(trifluoromethyl)heptane

3-(trifluoromethyl)heptane (PubChem CID 19902919) has the molecular formula C8H15F3 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(trifluoromethyl)heptane.

Molecular Properties

Compound Name3-(trifluoromethyl)heptane
PubChem CID19902919
Molecular FormulaC8H15F3
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name3-(trifluoromethyl)heptane
SMILESCCCCC(CC)C(F)(F)F
InChIInChI=1S/C8H15F3/c1-3-5-6-7(4-2)8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyDVSBKZBDFNQMAF-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)heptane?
The IUPAC name of 3-(trifluoromethyl)heptane (CID 19902919) is 3-(trifluoromethyl)heptane.
What is the SMILES notation for 3-(trifluoromethyl)heptane?
The canonical SMILES for 3-(trifluoromethyl)heptane is CCCCC(CC)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)heptane?
The InChIKey is DVSBKZBDFNQMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3/c1-3-5-6-7(4-2)8(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 3-(trifluoromethyl)heptane?
3-(trifluoromethyl)heptane has a molecular weight of 168.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)heptane is sourced from PubChem (CID 19902919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).