N-[2-(trifluoromethyl)cyclohexyl]formamide

C8H12F3NO — CID 64992344

IUPACN-[2-(trifluoromethyl)cyclohexyl]formamide
SMILESO=CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h5-7H,1-4H2,(H,12,13)
InChIKeyCIXDXUGIXRYISA-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.85
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]formamide

N-[2-(trifluoromethyl)cyclohexyl]formamide (PubChem CID 64992344) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]formamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]formamide
PubChem CID64992344
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]formamide
SMILESO=CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h5-7H,1-4H2,(H,12,13)
InChIKeyCIXDXUGIXRYISA-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]formamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]formamide (CID 64992344) is N-[2-(trifluoromethyl)cyclohexyl]formamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]formamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]formamide is O=CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]formamide?
The InChIKey is CIXDXUGIXRYISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h5-7H,1-4H2,(H,12,13).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]formamide?
N-[2-(trifluoromethyl)cyclohexyl]formamide has a molecular weight of 195.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]formamide is sourced from PubChem (CID 64992344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).