6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane

C14H19F9 — CID 21039871

IUPAC6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane
SMILESCCC1CC(CC(C)(C(F)(F)F)C(F)(F)F)C(F)C(C)C1(F)F
InChIInChI=1S/C14H19F9/c1-4-9-5-8(10(15)7(2)12(9,16)17)6-11(3,13(18,19)20)14(21,22)23/h7-10H,4-6H2,1-3H3
InChIKeyRVSULGIGABNNNT-UHFFFAOYSA-N
MW358.29 g/mol
LogP6.16
Rot. Bonds3

About 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane

6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane (PubChem CID 21039871) has the molecular formula C14H19F9 and a molecular weight of 358.29 g/mol. Its IUPAC name is 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane.

Molecular Properties

Compound Name6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane
PubChem CID21039871
Molecular FormulaC14H19F9
Molecular Weight358.29 g/mol
Exact Mass358.13
IUPAC Name6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane
SMILESCCC1CC(CC(C)(C(F)(F)F)C(F)(F)F)C(F)C(C)C1(F)F
InChIInChI=1S/C14H19F9/c1-4-9-5-8(10(15)7(2)12(9,16)17)6-11(3,13(18,19)20)14(21,22)23/h7-10H,4-6H2,1-3H3
InChIKeyRVSULGIGABNNNT-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.29
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane?
The IUPAC name of 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane (CID 21039871) is 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane.
What is the SMILES notation for 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane?
The canonical SMILES for 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane is CCC1CC(CC(C)(C(F)(F)F)C(F)(F)F)C(F)C(C)C1(F)F.
What is the InChIKey of 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane?
The InChIKey is RVSULGIGABNNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F9/c1-4-9-5-8(10(15)7(2)12(9,16)17)6-11(3,13(18,19)20)14(21,22)23/h7-10H,4-6H2,1-3H3.
What are the key properties of 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane?
6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane has a molecular weight of 358.29 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,1,3-trifluoro-2-methyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]cyclohexane is sourced from PubChem (CID 21039871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).