N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine

C9H16F3N — CID 24692618

IUPACN-(cyclohexylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1CCCCC1
InChIInChI=1S/C9H16F3N/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h8,13H,1-7H2
InChIKeySIWVJJIGMREYBO-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds3

About N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine

N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 24692618) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,2,2-trifluoroethanamine
PubChem CID24692618
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-(cyclohexylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1CCCCC1
InChIInChI=1S/C9H16F3N/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h8,13H,1-7H2
InChIKeySIWVJJIGMREYBO-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine (CID 24692618) is N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is SIWVJJIGMREYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h8,13H,1-7H2.
What are the key properties of N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine?
N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 24692618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).