N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C11H17F5N2O — CID 107493690

IUPACN-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESNCCN(CC(F)(F)F)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H17F5N2O/c12-10(13)3-1-8(2-4-10)9(19)18(6-5-17)7-11(14,15)16/h8H,1-7,17H2
InChIKeyYRGPRWVQCPSYQI-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.16
Rot. Bonds4

About N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 107493690) has the molecular formula C11H17F5N2O and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID107493690
Molecular FormulaC11H17F5N2O
Molecular Weight288.26 g/mol
Exact Mass288.13
IUPAC NameN-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESNCCN(CC(F)(F)F)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H17F5N2O/c12-10(13)3-1-8(2-4-10)9(19)18(6-5-17)7-11(14,15)16/h8H,1-7,17H2
InChIKeyYRGPRWVQCPSYQI-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-1-yl)-ethanone
CID 44403069
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
(S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402967
(S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402971
(S)-2-Amino-2-cyclohexyl-1-(2,3,4,5-tetrafluoro-pyrrolidin-1-yl)-ethanone
CID 44402972
(S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402970
1-(Cyclohexylcarbonyl)piperazine
CID 3437502
N-(2-aminoethyl)-2-cyclohexylacetamide hydrochloride
CID 47002970
N-(2-aminoethyl)-2-cyclohexylacetamide
CID 43210022
3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide
CID 2297244
1-N,3-N-bis(2,2,2-trifluoroethyl)cyclohexane-1,3-dicarboxamide
CID 51095171

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 107493690) is N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is NCCN(CC(F)(F)F)C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is YRGPRWVQCPSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F5N2O/c12-10(13)3-1-8(2-4-10)9(19)18(6-5-17)7-11(14,15)16/h8H,1-7,17H2.
What are the key properties of N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107493690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).