N-cyclohexyl-2,2,2-trifluoroacetamide

C8H12F3NO — CID 557702

IUPACN-cyclohexyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyNNIONFSOKOHXIB-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.00
Rot. Bonds1

About N-cyclohexyl-2,2,2-trifluoroacetamide

N-cyclohexyl-2,2,2-trifluoroacetamide (PubChem CID 557702) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-cyclohexyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2,2-trifluoroacetamide
PubChem CID557702
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-cyclohexyl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyNNIONFSOKOHXIB-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-cyclohexyl-2,2,2-trifluoroacetamide (CID 557702) is N-cyclohexyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-cyclohexyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-cyclohexyl-2,2,2-trifluoroacetamide is O=C(NC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-2,2,2-trifluoroacetamide?
The InChIKey is NNIONFSOKOHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13).
What are the key properties of N-cyclohexyl-2,2,2-trifluoroacetamide?
N-cyclohexyl-2,2,2-trifluoroacetamide has a molecular weight of 195.18 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 557702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).