2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C16H19F4N — CID 23646095

IUPAC2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(CNCc1cccc(C(F)(F)F)c1)=C1CCCCC1
InChIInChI=1S/C16H19F4N/c17-15(13-6-2-1-3-7-13)11-21-10-12-5-4-8-14(9-12)16(18,19)20/h4-5,8-9,21H,1-3,6-7,10-11H2
InChIKeyKAMPFKTYMJXRMN-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.98
Rot. Bonds4

About 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 23646095) has the molecular formula C16H19F4N and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID23646095
Molecular FormulaC16H19F4N
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(CNCc1cccc(C(F)(F)F)c1)=C1CCCCC1
InChIInChI=1S/C16H19F4N/c17-15(13-6-2-1-3-7-13)11-21-10-12-5-4-8-14(9-12)16(18,19)20/h4-5,8-9,21H,1-3,6-7,10-11H2
InChIKeyKAMPFKTYMJXRMN-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 23646095) is 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is FC(CNCc1cccc(C(F)(F)F)c1)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is KAMPFKTYMJXRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N/c17-15(13-6-2-1-3-7-13)11-21-10-12-5-4-8-14(9-12)16(18,19)20/h4-5,8-9,21H,1-3,6-7,10-11H2.
What are the key properties of 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 301.33 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-2-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 23646095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).