N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide

C8H10ClF2NO — CID 130658987

IUPACN-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
SMILESC=C(Cl)CNC(=O)C1CCC1(F)F
InChIInChI=1S/C8H10ClF2NO/c1-5(9)4-12-7(13)6-2-3-8(6,10)11/h6H,1-4H2,(H,12,13)
InChIKeyUAYRQYPULPEZAB-UHFFFAOYSA-N
MW209.62 g/mol
LogP1.90
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide

N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide (PubChem CID 130658987) has the molecular formula C8H10ClF2NO and a molecular weight of 209.62 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
PubChem CID130658987
Molecular FormulaC8H10ClF2NO
Molecular Weight209.62 g/mol
Exact Mass209.04
IUPAC NameN-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
SMILESC=C(Cl)CNC(=O)C1CCC1(F)F
InChIInChI=1S/C8H10ClF2NO/c1-5(9)4-12-7(13)6-2-3-8(6,10)11/h6H,1-4H2,(H,12,13)
InChIKeyUAYRQYPULPEZAB-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.62
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide (CID 130658987) is N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide is C=C(Cl)CNC(=O)C1CCC1(F)F.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide?
The InChIKey is UAYRQYPULPEZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2NO/c1-5(9)4-12-7(13)6-2-3-8(6,10)11/h6H,1-4H2,(H,12,13).
What are the key properties of N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide?
N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide has a molecular weight of 209.62 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 130658987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).