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

C8H10BrF2NO — CID 130683239

IUPACN-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CCC1(F)F
InChIInChI=1S/C8H10BrF2NO/c1-5(9)4-12-7(13)6-2-3-8(6,10)11/h6H,1-4H2,(H,12,13)
InChIKeyPRKODARYUSFVNG-UHFFFAOYSA-N
MW254.07 g/mol
LogP2.06
Rot. Bonds3

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

N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide (PubChem CID 130683239) has the molecular formula C8H10BrF2NO and a molecular weight of 254.07 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
PubChem CID130683239
Molecular FormulaC8H10BrF2NO
Molecular Weight254.07 g/mol
Exact Mass252.99
IUPAC NameN-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CCC1(F)F
InChIInChI=1S/C8H10BrF2NO/c1-5(9)4-12-7(13)6-2-3-8(6,10)11/h6H,1-4H2,(H,12,13)
InChIKeyPRKODARYUSFVNG-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide (CID 130683239) is N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide is C=C(Br)CNC(=O)C1CCC1(F)F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide?
The InChIKey is PRKODARYUSFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NO/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-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide?
N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide has a molecular weight of 254.07 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 130683239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).