N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine

C8H12F5N — CID 54237781

IUPACN-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine
SMILESFC(F)(F)C(F)(F)NC1CCCCC1
InChIInChI=1S/C8H12F5N/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h6,14H,1-5H2
InChIKeyQNUJUSXYKQRTMC-UHFFFAOYSA-N
MW217.18 g/mol
LogP3.06
Rot. Bonds2

About N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine

N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine (PubChem CID 54237781) has the molecular formula C8H12F5N and a molecular weight of 217.18 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine
PubChem CID54237781
Molecular FormulaC8H12F5N
Molecular Weight217.18 g/mol
Exact Mass217.09
IUPAC NameN-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine
SMILESFC(F)(F)C(F)(F)NC1CCCCC1
InChIInChI=1S/C8H12F5N/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h6,14H,1-5H2
InChIKeyQNUJUSXYKQRTMC-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
N-(trichloromethyl)cyclohexanamine
CID 139668019
(cyclohexylamino)methanetriol
CID 87845323
N-(2,3-dimethylbutan-2-yl)cyclohexanamine
CID 89164056
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine
CID 123392075
N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
CID 3360034
4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
CID 58707395
(2R)-2-(cycloheptylamino)-2-fluoropropane-1-sulfonic acid
CID 87925243
1,2-di(cyclononyl)hydrazine
CID 155042261
N-(2,3,3-trimethylbutan-2-yl)cyclopentanamine
CID 58297120
N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
CID 43434257

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine (CID 54237781) is N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine is FC(F)(F)C(F)(F)NC1CCCCC1.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine?
The InChIKey is QNUJUSXYKQRTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5N/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h6,14H,1-5H2.
What are the key properties of N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine?
N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine has a molecular weight of 217.18 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine is sourced from PubChem (CID 54237781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).