2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide

C12H19F3N2O — CID 113220609

IUPAC2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESC=CCNCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-2-7-16-8-11(18)17-10-6-4-3-5-9(10)12(13,14)15/h2,9-10,16H,1,3-8H2,(H,17,18)
InChIKeyBERUPYCWHUAJGA-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.00
Rot. Bonds5

About 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide

2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 113220609) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID113220609
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESC=CCNCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-2-7-16-8-11(18)17-10-6-4-3-5-9(10)12(13,14)15/h2,9-10,16H,1,3-8H2,(H,17,18)
InChIKeyBERUPYCWHUAJGA-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-N'-(2-methylcyclohexyl)ethanediamide
CID 2954922
(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
CID 119324158
N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide
CID 118374455
2-(methylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 43424809
2-amino-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 43424851
N-[2-(trifluoromethyl)cyclohexyl]prop-2-enamide
CID 43701268
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 53515058
2-[(2-ethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962001
2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60646712
2-(propan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 60718299
2-(ethylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 60718795
2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 60719816

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide (CID 113220609) is 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide is C=CCNCC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is BERUPYCWHUAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-2-7-16-8-11(18)17-10-6-4-3-5-9(10)12(13,14)15/h2,9-10,16H,1,3-8H2,(H,17,18).
What are the key properties of 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 264.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 113220609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).