N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

C9H14F3NO — CID 89487170

IUPACN-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESO=C(NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)6-13-8(14)7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14)
InChIKeyIDKOLNNRBZKLQB-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.25
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (PubChem CID 89487170) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
PubChem CID89487170
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESO=C(NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)6-13-8(14)7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14)
InChIKeyIDKOLNNRBZKLQB-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (CID 89487170) is N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is O=C(NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The InChIKey is IDKOLNNRBZKLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)6-13-8(14)7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14).
What are the key properties of N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide has a molecular weight of 209.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is sourced from PubChem (CID 89487170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).