N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide

C12H20F3NO — CID 139316363

IUPACN-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
SMILESCCCCC1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c1-2-3-4-9-5-7-10(8-6-9)16-11(17)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyKLISPFZKPOUOTP-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.41
Rot. Bonds4

About N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide

N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide (PubChem CID 139316363) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
PubChem CID139316363
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
SMILESCCCCC1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO/c1-2-3-4-9-5-7-10(8-6-9)16-11(17)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyKLISPFZKPOUOTP-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide 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

ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 69258159
2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
CID 119750326
1-N,2-N,3-N,4-N-tetrakis(4-heptylcyclohexyl)butane-1,2,3,4-tetracarboxamide;1-N,2-N,3-N,4-N-tetrakis(4-octylcyclohexyl)butane-1,2,3,4-tetracarboxamide
CID 160809343
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
CID 119750378
N-(4-butylcyclohexyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 47769316
N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
CID 134244880
N-(4-ethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429662
(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120789873
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890

Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide (CID 139316363) is N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide is CCCCC1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide?
The InChIKey is KLISPFZKPOUOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-2-3-4-9-5-7-10(8-6-9)16-11(17)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide?
N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide has a molecular weight of 251.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 139316363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).