(1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen

C15H25F2NO2 — CID 176576857

IUPAC(1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)C(=O)[C@H](NC(=O)[C@H]1CC1(F)F)C1CCCCC1.[H][H]
InChIInChI=1S/C15H23F2NO2.H2/c1-9(2)13(19)12(10-6-4-3-5-7-10)18-14(20)11-8-15(11,16)17;/h9-12H,3-8H2,1-2H3,(H,18,20);1H/t11-,12-;/m1./s1
InChIKeyQPHVOIIXMWGBEI-MNMPKAIFSA-N
MW289.37 g/mol
LogP3.18
Rot. Bonds5

About (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen

(1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 176576857) has the molecular formula C15H25F2NO2 and a molecular weight of 289.37 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen
PubChem CID176576857
Molecular FormulaC15H25F2NO2
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name(1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)C(=O)[C@H](NC(=O)[C@H]1CC1(F)F)C1CCCCC1.[H][H]
InChIInChI=1S/C15H23F2NO2.H2/c1-9(2)13(19)12(10-6-4-3-5-7-10)18-14(20)11-8-15(11,16)17;/h9-12H,3-8H2,1-2H3,(H,18,20);1H/t11-,12-;/m1./s1
InChIKeyQPHVOIIXMWGBEI-MNMPKAIFSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen (CID 176576857) is (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen is CC(C)C(=O)[C@H](NC(=O)[C@H]1CC1(F)F)C1CCCCC1.[H][H].
What is the InChIKey of (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is QPHVOIIXMWGBEI-MNMPKAIFSA-N. The full InChI is InChI=1S/C15H23F2NO2.H2/c1-9(2)13(19)12(10-6-4-3-5-7-10)18-14(20)11-8-15(11,16)17;/h9-12H,3-8H2,1-2H3,(H,18,20);1H/t11-,12-;/m1./s1.
What are the key properties of (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen?
(1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 289.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2,2-difluorocyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 176576857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).