1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C10H14F6N2O — CID 64755902

IUPAC1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)5-18-8(7(17)19)3-1-6(2-4-8)10(14,15)16/h6,18H,1-5H2,(H2,17,19)
InChIKeyDHXFJEDBHQNDSB-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.11
Rot. Bonds3

About 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide

1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 64755902) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID64755902
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC Name1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)5-18-8(7(17)19)3-1-6(2-4-8)10(14,15)16/h6,18H,1-5H2,(H2,17,19)
InChIKeyDHXFJEDBHQNDSB-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
CID 54893206
1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 22561606
ethyl 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64755728
2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758784
2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carboxamide
CID 65044708
4-(2-methylbutan-2-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 60795512
1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 64755712
1-benzyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxamide
CID 60999133
1-formamido-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756305
methyl 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate;hydrochloride
CID 67170841
ethyl 4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carboxylate
CID 65089118
1-(2-azidoethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 66189996

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 64755902) is 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide is NC(=O)C1(NCC(F)(F)F)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is DHXFJEDBHQNDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c11-9(12,13)5-18-8(7(17)19)3-1-6(2-4-8)10(14,15)16/h6,18H,1-5H2,(H2,17,19).
What are the key properties of 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 292.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64755902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).