N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide

C11H14F2N2O — CID 118309341

IUPACN-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESN#CC1(NC(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H14F2N2O/c12-11(13)3-1-8(2-4-11)9(16)15-10(7-14)5-6-10/h8H,1-6H2,(H,15,16)
InChIKeyLWIPKXNJGSMMBE-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.98
Rot. Bonds2

About N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide

N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 118309341) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID118309341
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESN#CC1(NC(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H14F2N2O/c12-11(13)3-1-8(2-4-11)9(16)15-10(7-14)5-6-10/h8H,1-6H2,(H,15,16)
InChIKeyLWIPKXNJGSMMBE-UHFFFAOYSA-N
XLogP1.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopropyl)cyclohexanecarboxamide
CID 68559496
2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide
CID 126793329
2-butyl-N-(1-cyanocyclopropyl)-4,4-difluoroheptanamide
CID 123386637
N-(1-cyanocyclopropyl)-4,4-difluoro-1-methylcyclohexane-1-carboxamide
CID 126675105
(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-methylheptanamide
CID 163494021
1-amino-N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide
CID 166677050
N'-(1-cyanocyclopropyl)-4,4-difluoroheptanediamide
CID 173114828
(2S)-N'-(1-cyanocyclopropyl)-4,4-difluoro-2-methylheptanediamide
CID 173125608
N-(1-cyanocyclohexyl)-3,3,3-trifluoropropanamide
CID 60731336
N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide
CID 61119734
N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide
CID 61121115
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutanamide
CID 65711553

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide (CID 118309341) is N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide is N#CC1(NC(=O)C2CCC(F)(F)CC2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is LWIPKXNJGSMMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)3-1-8(2-4-11)9(16)15-10(7-14)5-6-10/h8H,1-6H2,(H,15,16).
What are the key properties of N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide?
N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 228.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 118309341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).