N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H20F3NO — CID 113224088

IUPACN-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11-8-4-3-7-10(11)12(18)17-9-5-1-2-6-9/h9-11H,1-8H2,(H,17,18)
InChIKeyIFROQEDYDHVHSC-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.41
Rot. Bonds2

About N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 113224088) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID113224088
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3NO/c14-13(15,16)11-8-4-3-7-10(11)12(18)17-9-5-1-2-6-9/h9-11H,1-8H2,(H,17,18)
InChIKeyIFROQEDYDHVHSC-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 113224088) is N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NC1CCCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is IFROQEDYDHVHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)11-8-4-3-7-10(11)12(18)17-9-5-1-2-6-9/h9-11H,1-8H2,(H,17,18).
What are the key properties of N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113224088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).