N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H20F3NO2 — CID 115775943

IUPACN-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=CCN(CCO)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO2/c1-2-6-17(7-8-18)12(19)10-4-3-5-11(9-10)13(14,15)16/h2,10-11,18H,1,3-9H2
InChIKeyQVDQQTAGQMVKEJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.36
Rot. Bonds5

About N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115775943) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115775943
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=CCN(CCO)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO2/c1-2-6-17(7-8-18)12(19)10-4-3-5-11(9-10)13(14,15)16/h2,10-11,18H,1,3-9H2
InChIKeyQVDQQTAGQMVKEJ-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115775943) is N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is C=CCN(CCO)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is QVDQQTAGQMVKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-2-6-17(7-8-18)12(19)10-4-3-5-11(9-10)13(14,15)16/h2,10-11,18H,1,3-9H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115775943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).