N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C15H23BrF3NO — CID 106367196

IUPACN-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1CBr)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23BrF3NO/c16-9-11-4-1-2-7-13(11)20-14(21)10-5-3-6-12(8-10)15(17,18)19/h10-13H,1-9H2,(H,20,21)
InChIKeyCTOBZMSOUAFORX-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.43
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106367196) has the molecular formula C15H23BrF3NO and a molecular weight of 370.25 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106367196
Molecular FormulaC15H23BrF3NO
Molecular Weight370.25 g/mol
Exact Mass369.09
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1CBr)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23BrF3NO/c16-9-11-4-1-2-7-13(11)20-14(21)10-5-3-6-12(8-10)15(17,18)19/h10-13H,1-9H2,(H,20,21)
InChIKeyCTOBZMSOUAFORX-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40138363
N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 42936327
N-(4,4-difluorocyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160507
4-fluoro-N-(2-methylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 143001999
N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane
CID 164537867
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40130700
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40130701
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40130702
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40130703
2-bromo-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 43701269
7-amino-N-[2-(trifluoromethyl)cyclohexyl]heptanamide
CID 43712738
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 62856041

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106367196) is N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NC1CCCCC1CBr)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is CTOBZMSOUAFORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrF3NO/c16-9-11-4-1-2-7-13(11)20-14(21)10-5-3-6-12(8-10)15(17,18)19/h10-13H,1-9H2,(H,20,21).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106367196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).