N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide

C9H14F3NO — CID 87617531

IUPACN-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide
SMILESO=CN(CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)6-13(7-14)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyLSPXBBWVYMPRPE-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.34
Rot. Bonds3

About N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide

N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 87617531) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide
PubChem CID87617531
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide
SMILESO=CN(CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)6-13(7-14)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyLSPXBBWVYMPRPE-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methylformamide
CID 10510948
N-Cyclohexyl-N-ethylformamide
CID 10773210
N-cyclohexyl-N-propyl-formamide
CID 10583265
N-Cyclohexyl-N-isopropyl-formamide
CID 10654696
N-Cyclohexyl-2,2,2-trifluoro-N-methylacetamide
CID 62491979
N,N-bis(4,4,5,5,5-pentafluoropentyl)formamide
CID 21250096
N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride
CID 54038097
2-(Trifluoromethyl)piperidine-1-carbaldehyde
CID 87726119
N-cyclohexyl-N-methylcarbamoyl fluoride
CID 89000244
N-(4,4-difluorocyclohexyl)-N-methylacetamide
CID 118929110
N-(4-fluorocyclohexyl)-N-methylformamide
CID 166960911
N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide
CID 174736493

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide (CID 87617531) is N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide is O=CN(CC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is LSPXBBWVYMPRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)6-13(7-14)8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide?
N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 209.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 87617531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).