N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide

C12H17F6NO2 — CID 103310161

IUPACN-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C12H17F6NO2/c13-11(14,15)9(12(16,17)18)10(21)19(6-7-20)8-4-2-1-3-5-8/h8-9,20H,1-7H2
InChIKeyDJMFAUUXWWZYBW-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.88
Rot. Bonds4

About N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide

N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide (PubChem CID 103310161) has the molecular formula C12H17F6NO2 and a molecular weight of 321.26 g/mol. Its IUPAC name is N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
PubChem CID103310161
Molecular FormulaC12H17F6NO2
Molecular Weight321.26 g/mol
Exact Mass321.12
IUPAC NameN-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C12H17F6NO2/c13-11(14,15)9(12(16,17)18)10(21)19(6-7-20)8-4-2-1-3-5-8/h8-9,20H,1-7H2
InChIKeyDJMFAUUXWWZYBW-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dicyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 71672505
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propanamide
CID 60949797
N-cyclopentyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 114037858
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115620424
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 64890671
2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
CID 102861278
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102861908
2-amino-N-cyclopentyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
CID 79806120
N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622417

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide (CID 103310161) is N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide is O=C(C(C(F)(F)F)C(F)(F)F)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
The InChIKey is DJMFAUUXWWZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO2/c13-11(14,15)9(12(16,17)18)10(21)19(6-7-20)8-4-2-1-3-5-8/h8-9,20H,1-7H2.
What are the key properties of N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide?
N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide has a molecular weight of 321.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).