ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide

C10H19F2NO — CID 164556084

IUPACethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide
SMILESCC.CCNC(=O)C1C(C)(C)C1(F)F
InChIInChI=1S/C8H13F2NO.C2H6/c1-4-11-6(12)5-7(2,3)8(5,9)10;1-2/h5H,4H2,1-3H3,(H,11,12);1-2H3
InChIKeyBNXQLOCNAAUFGT-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.44
Rot. Bonds2

About ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide

ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide (PubChem CID 164556084) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide
PubChem CID164556084
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Nameethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide
SMILESCC.CCNC(=O)C1C(C)(C)C1(F)F
InChIInChI=1S/C8H13F2NO.C2H6/c1-4-11-6(12)5-7(2,3)8(5,9)10;1-2/h5H,4H2,1-3H3,(H,11,12);1-2H3
InChIKeyBNXQLOCNAAUFGT-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide?
The IUPAC name of ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide (CID 164556084) is ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide is CC.CCNC(=O)C1C(C)(C)C1(F)F.
What is the InChIKey of ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide?
The InChIKey is BNXQLOCNAAUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.C2H6/c1-4-11-6(12)5-7(2,3)8(5,9)10;1-2/h5H,4H2,1-3H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide?
ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide has a molecular weight of 207.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,2-difluoro-3,3-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 164556084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).