N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide

C10H15ClF3NO — CID 106131667

IUPACN-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCC1CCCC(Cl)C1
InChIInChI=1S/C10H15ClF3NO/c11-8-3-1-2-7(4-8)6-15-9(16)5-10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyHPFQBFGIXSCXTF-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.85
Rot. Bonds3

About N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide

N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 106131667) has the molecular formula C10H15ClF3NO and a molecular weight of 257.68 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide
PubChem CID106131667
Molecular FormulaC10H15ClF3NO
Molecular Weight257.68 g/mol
Exact Mass257.08
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCC1CCCC(Cl)C1
InChIInChI=1S/C10H15ClF3NO/c11-8-3-1-2-7(4-8)6-15-9(16)5-10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyHPFQBFGIXSCXTF-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide 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

2-chloro-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 13488559
4-chloro-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 63307941
2-chloro-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 43424769
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 43424770
3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 43700683
2-chloro-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 43700685
5-chloro-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
CID 43700689
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701255
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701256
5-chloro-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 43701260
3-chloro-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43701265
2-chloro-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43701267

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide (CID 106131667) is N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCC1CCCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is HPFQBFGIXSCXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO/c11-8-3-1-2-7(4-8)6-15-9(16)5-10(12,13)14/h7-8H,1-6H2,(H,15,16).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide?
N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 257.68 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 106131667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).