3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide

C10H16F4N2O — CID 106291669

IUPAC3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC(F)(F)C(F)F)C1
InChIInChI=1S/C10H16F4N2O/c11-9(12)10(13,14)5-16-8(17)6-2-1-3-7(15)4-6/h6-7,9H,1-5,15H2,(H,16,17)
InChIKeyXDEVBOOXLYUTHV-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide

3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide (PubChem CID 106291669) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
PubChem CID106291669
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC Name3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC(F)(F)C(F)F)C1
InChIInChI=1S/C10H16F4N2O/c11-9(12)10(13,14)5-16-8(17)6-2-1-3-7(15)4-6/h6-7,9H,1-5,15H2,(H,16,17)
InChIKeyXDEVBOOXLYUTHV-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 66174277
3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830598
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119700662
3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119727711
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 130551930
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223926
2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 114169878
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide (CID 106291669) is 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC(F)(F)C(F)F)C1.
What is the InChIKey of 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is XDEVBOOXLYUTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c11-9(12)10(13,14)5-16-8(17)6-2-1-3-7(15)4-6/h6-7,9H,1-5,15H2,(H,16,17).
What are the key properties of 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 256.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106291669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).