3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane

C14H27F3 — CID 166589252

IUPAC3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane
SMILESCCC(CC)C(C)(C(F)(F)F)C(C)(CC)CC
InChIInChI=1S/C14H27F3/c1-7-11(8-2)13(6,14(15,16)17)12(5,9-3)10-4/h11H,7-10H2,1-6H3
InChIKeyDDZHFFUIOOWSAM-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.82
Rot. Bonds6

About 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane

3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane (PubChem CID 166589252) has the molecular formula C14H27F3 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane.

Molecular Properties

Compound Name3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane
PubChem CID166589252
Molecular FormulaC14H27F3
Molecular Weight252.36 g/mol
Exact Mass252.21
IUPAC Name3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane
SMILESCCC(CC)C(C)(C(F)(F)F)C(C)(CC)CC
InChIInChI=1S/C14H27F3/c1-7-11(8-2)13(6,14(15,16)17)12(5,9-3)10-4/h11H,7-10H2,1-6H3
InChIKeyDDZHFFUIOOWSAM-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane?
The IUPAC name of 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane (CID 166589252) is 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane.
What is the SMILES notation for 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane?
The canonical SMILES for 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane is CCC(CC)C(C)(C(F)(F)F)C(C)(CC)CC.
What is the InChIKey of 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane?
The InChIKey is DDZHFFUIOOWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3/c1-7-11(8-2)13(6,14(15,16)17)12(5,9-3)10-4/h11H,7-10H2,1-6H3.
What are the key properties of 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane?
3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane has a molecular weight of 252.36 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane is sourced from PubChem (CID 166589252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).