N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine

C10H18F3N — CID 81385216

IUPACN-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
SMILESC[C@H](NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3N/c1-8(14-7-10(11,12)13)9-5-3-2-4-6-9/h8-9,14H,2-7H2,1H3/t8-/m0/s1
InChIKeyRBMCLQNJUANIEM-QMMMGPOBSA-N
MW209.25 g/mol
LogP3.11
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine

N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine (PubChem CID 81385216) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
PubChem CID81385216
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
SMILESC[C@H](NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3N/c1-8(14-7-10(11,12)13)9-5-3-2-4-6-9/h8-9,14H,2-7H2,1H3/t8-/m0/s1
InChIKeyRBMCLQNJUANIEM-QMMMGPOBSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine (CID 81385216) is N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine is C[C@H](NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine?
The InChIKey is RBMCLQNJUANIEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(14-7-10(11,12)13)9-5-3-2-4-6-9/h8-9,14H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine?
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine has a molecular weight of 209.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 81385216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).