N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide

C14H22F3NO — CID 42936327

IUPACN-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1CCCCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)11-7-4-8-12(9-11)18-13(19)10-5-2-1-3-6-10/h10-12H,1-9H2,(H,18,19)
InChIKeyJAKOICQHRPAZKN-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.80
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide

N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide (PubChem CID 42936327) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
PubChem CID42936327
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1CCCCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)11-7-4-8-12(9-11)18-13(19)10-5-2-1-3-6-10/h10-12H,1-9H2,(H,18,19)
InChIKeyJAKOICQHRPAZKN-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide (CID 42936327) is N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide is O=C(NC1CCCC(C(F)(F)F)C1)C1CCCCC1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide?
The InChIKey is JAKOICQHRPAZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)11-7-4-8-12(9-11)18-13(19)10-5-2-1-3-6-10/h10-12H,1-9H2,(H,18,19).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide?
N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 42936327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).