cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide

C14H21F2NO2 — CID 166311403

IUPACcis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide
SMILESC[C@]1(C(F)F)C[C@H]1C(=O)NC1CCOCC12CCC2
InChIInChI=1S/C14H21F2NO2/c1-13(12(15)16)7-9(13)11(18)17-10-3-6-19-8-14(10)4-2-5-14/h9-10,12H,2-8H2,1H3,(H,17,18)/t9-,10?,13-/m0/s1
InChIKeyZWTNDZMSVLFULU-DZGIZQBRSA-N
MW273.32 g/mol
LogP2.35
Rot. Bonds3

About cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide (PubChem CID 166311403) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide
PubChem CID166311403
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Namecis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide
SMILESC[C@]1(C(F)F)C[C@H]1C(=O)NC1CCOCC12CCC2
InChIInChI=1S/C14H21F2NO2/c1-13(12(15)16)7-9(13)11(18)17-10-3-6-19-8-14(10)4-2-5-14/h9-10,12H,2-8H2,1H3,(H,17,18)/t9-,10?,13-/m0/s1
InChIKeyZWTNDZMSVLFULU-DZGIZQBRSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide (CID 166311403) is cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide is C[C@]1(C(F)F)C[C@H]1C(=O)NC1CCOCC12CCC2.
What is the InChIKey of cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide?
The InChIKey is ZWTNDZMSVLFULU-DZGIZQBRSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-13(12(15)16)7-9(13)11(18)17-10-3-6-19-8-14(10)4-2-5-14/h9-10,12H,2-8H2,1H3,(H,17,18)/t9-,10?,13-/m0/s1.
What are the key properties of cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(difluoromethyl)-2-methyl-N-(6-oxaspiro[3.5]nonan-9-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166311403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).