[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium

C10H19F3N+ — CID 164667452

IUPAC[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
SMILESC[C@H]([NH2+]CC(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/p+1/t8-/m0/s1
InChIKeyRBMCLQNJUANIEM-QMMMGPOBSA-O
MW210.26 g/mol
LogP2.08
Rot. Bonds3

About [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium

[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium (PubChem CID 164667452) has the molecular formula C10H19F3N+ and a molecular weight of 210.26 g/mol. Its IUPAC name is [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium.

Molecular Properties

Compound Name[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
PubChem CID164667452
Molecular FormulaC10H19F3N+
Molecular Weight210.26 g/mol
Exact Mass210.15
IUPAC Name[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
SMILESC[C@H]([NH2+]CC(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/p+1/t8-/m0/s1
InChIKeyRBMCLQNJUANIEM-QMMMGPOBSA-O
XLogP2.08
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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(alphaS)-N,alpha-Dimethylcyclohexaneethanamine
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Propylhexedrine hydrochloride, (S)-
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Cyclohexanemethylamine, N-cyclopropyl-alpha-methyl-
CID 202159
Propylhexedrine hydrochloride, (R)-
CID 111164
[(1S)-1-cyclohexylethyl](methyl)amine
CID 15194969
1-(4,4-Difluorocyclohexyl)ethan-1-amine
CID 21016048
N-methyl-4-propylcyclohexan-1-amine
CID 28608095
2-ethyl-N-methylcyclohexan-1-amine
CID 58095435
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium?
The IUPAC name of [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium (CID 164667452) is [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium.
What is the SMILES notation for [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium?
The canonical SMILES for [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium is C[C@H]([NH2+]CC(F)(F)F)C1CCCCC1.
What is the InChIKey of [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium?
The InChIKey is RBMCLQNJUANIEM-QMMMGPOBSA-O. 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/p+1/t8-/m0/s1.
What are the key properties of [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium?
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium has a molecular weight of 210.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium is sourced from PubChem (CID 164667452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).