N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide

C9H14F3NO — CID 62491979

IUPACN-cyclohexyl-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H14F3NO/c1-13(8(14)9(10,11)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyYIPMXDYAKIORFF-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.34
Rot. Bonds1

About N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide

N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62491979) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2,2-trifluoro-N-methylacetamide
PubChem CID62491979
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-cyclohexyl-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H14F3NO/c1-13(8(14)9(10,11)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyYIPMXDYAKIORFF-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide (CID 62491979) is N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is YIPMXDYAKIORFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-13(8(14)9(10,11)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide?
N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 209.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62491979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).