4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

C10H17F3N2O — CID 63227240

IUPAC4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)5-6-15-9(16)7-1-3-8(14)4-2-7/h7-8H,1-6,14H2,(H,15,16)
InChIKeyWHTLEYMSYRVHEL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.57
Rot. Bonds3

About 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (PubChem CID 63227240) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
PubChem CID63227240
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)5-6-15-9(16)7-1-3-8(14)4-2-7/h7-8H,1-6,14H2,(H,15,16)
InChIKeyWHTLEYMSYRVHEL-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 113228177
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63231231
N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111999419
4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 103795776
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285791
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 86833572
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (CID 63227240) is 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)NCCC(F)(F)F)CC1.
What is the InChIKey of 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is WHTLEYMSYRVHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)5-6-15-9(16)7-1-3-8(14)4-2-7/h7-8H,1-6,14H2,(H,15,16).
What are the key properties of 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63227240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).