1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C12H17F3N2O2 — CID 107479535

IUPAC1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)N(CCO)CC(F)(F)F)CCCCC1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)9-17(6-7-18)10(19)11(8-16)4-2-1-3-5-11/h18H,1-7,9H2
InChIKeyLIFZDHHSYMLNNY-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.84
Rot. Bonds4

About 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 107479535) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID107479535
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)N(CCO)CC(F)(F)F)CCCCC1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)9-17(6-7-18)10(19)11(8-16)4-2-1-3-5-11/h18H,1-7,9H2
InChIKeyLIFZDHHSYMLNNY-UHFFFAOYSA-N
XLogP1.84
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 71970777
1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 61461508
1-cyano-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61841853
1-cyano-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61843402
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887932
N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81907564
N-ethyl-4,4-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 81932319
4,4-difluoro-N-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 81932356
N,N-bis(2-hydroxyethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932548
4,4-difluoro-N,N-bis(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 81932549
4,4-difluoro-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide
CID 81932716
N-butyl-4,4-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 81932751

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 107479535) is 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)N(CCO)CC(F)(F)F)CCCCC1.
What is the InChIKey of 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is LIFZDHHSYMLNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)9-17(6-7-18)10(19)11(8-16)4-2-1-3-5-11/h18H,1-7,9H2.
What are the key properties of 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107479535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).