4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

C11H20F2N2O2 — CID 107479396

IUPAC4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C11H20F2N2O2/c12-10(13)7-15(5-6-16)11(17)8-1-3-9(14)4-2-8/h8-10,16H,1-7,14H2
InChIKeyUSOCFVFRRPSDPP-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.59
Rot. Bonds5

About 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 107479396) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID107479396
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C11H20F2N2O2/c12-10(13)7-15(5-6-16)11(17)8-1-3-9(14)4-2-8/h8-10,16H,1-7,14H2
InChIKeyUSOCFVFRRPSDPP-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 107479357
1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
CID 58434361
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 60847434
N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide
CID 107491582
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 107479497
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107493238
4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79469783
1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479411
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 107494882
4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 60847602

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 107479396) is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)N(CCO)CC(F)F)CC1.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is USOCFVFRRPSDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c12-10(13)7-15(5-6-16)11(17)8-1-3-9(14)4-2-8/h8-10,16H,1-7,14H2.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107479396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).