N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide

C9H15F2N2O+ — CID 172599342

IUPACN-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC(F)F)C1CC2CCC1[NH2+]2
InChIInChI=1S/C9H14F2N2O/c10-8(11)4-12-9(14)6-3-5-1-2-7(6)13-5/h5-8,13H,1-4H2,(H,12,14)/p+1
InChIKeyXYXJLOCODRJDIE-UHFFFAOYSA-O
MW205.23 g/mol
LogP-0.52
Rot. Bonds3

About N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide

N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 172599342) has the molecular formula C9H15F2N2O+ and a molecular weight of 205.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID172599342
Molecular FormulaC9H15F2N2O+
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC NameN-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC(F)F)C1CC2CCC1[NH2+]2
InChIInChI=1S/C9H14F2N2O/c10-8(11)4-12-9(14)6-3-5-1-2-7(6)13-5/h5-8,13H,1-4H2,(H,12,14)/p+1
InChIKeyXYXJLOCODRJDIE-UHFFFAOYSA-O
XLogP-0.52
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62776131
cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89486996
(1R,2S)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89486998
cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 117628532
(cis)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide Hydrochloride
CID 117628534
2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 117628535
(2S)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 129207538
(S)-5-(4,4-Difluorocyclohexyl)pyrrolidin-2-one
CID 146633902
5-(4,4-Difluorocyclohexyl)pyrrolidin-2-one
CID 146633903
N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 55149873
2-pyrrolidin-2-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 61364829
2-pyrrolidin-2-yl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 61364831

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide (CID 172599342) is N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC(F)F)C1CC2CCC1[NH2+]2.
What is the InChIKey of N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XYXJLOCODRJDIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14F2N2O/c10-8(11)4-12-9(14)6-3-5-1-2-7(6)13-5/h5-8,13H,1-4H2,(H,12,14)/p+1.
What are the key properties of N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide?
N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 205.23 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-7-azoniabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 172599342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).