(1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide

C12H16F2N2O — CID 142979866

IUPAC(1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(F)(F)C[C@H]1C(=O)NC1(C#N)CC1
InChIInChI=1S/C12H16F2N2O/c1-8-2-3-12(13,14)6-9(8)10(17)16-11(7-15)4-5-11/h8-9H,2-6H2,1H3,(H,16,17)/t8?,9-/m1/s1
InChIKeyQNBVQAAOOAMZJL-YGPZHTELSA-N
MW242.27 g/mol
LogP2.23
Rot. Bonds2

About (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide

(1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide (PubChem CID 142979866) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide
PubChem CID142979866
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(F)(F)C[C@H]1C(=O)NC1(C#N)CC1
InChIInChI=1S/C12H16F2N2O/c1-8-2-3-12(13,14)6-9(8)10(17)16-11(7-15)4-5-11/h8-9H,2-6H2,1H3,(H,16,17)/t8?,9-/m1/s1
InChIKeyQNBVQAAOOAMZJL-YGPZHTELSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide?
The IUPAC name of (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide (CID 142979866) is (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide is CC1CCC(F)(F)C[C@H]1C(=O)NC1(C#N)CC1.
What is the InChIKey of (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide?
The InChIKey is QNBVQAAOOAMZJL-YGPZHTELSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-2-3-12(13,14)6-9(8)10(17)16-11(7-15)4-5-11/h8-9H,2-6H2,1H3,(H,16,17)/t8?,9-/m1/s1.
What are the key properties of (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide?
(1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1-cyanocyclopropyl)-5,5-difluoro-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 142979866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).