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

C9H12BrF2NO — CID 130820590

IUPACN-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CCCC1(F)F
InChIInChI=1S/C9H12BrF2NO/c1-6(10)5-13-8(14)7-3-2-4-9(7,11)12/h7H,1-5H2,(H,13,14)
InChIKeyYDZKXLSBYVKDEK-UHFFFAOYSA-N
MW268.10 g/mol
LogP2.45
Rot. Bonds3

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

N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide (PubChem CID 130820590) has the molecular formula C9H12BrF2NO and a molecular weight of 268.10 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide
PubChem CID130820590
Molecular FormulaC9H12BrF2NO
Molecular Weight268.10 g/mol
Exact Mass267.01
IUPAC NameN-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CCCC1(F)F
InChIInChI=1S/C9H12BrF2NO/c1-6(10)5-13-8(14)7-3-2-4-9(7,11)12/h7H,1-5H2,(H,13,14)
InChIKeyYDZKXLSBYVKDEK-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 52.45
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-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide (CID 130820590) is N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide is C=C(Br)CNC(=O)C1CCCC1(F)F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide?
The InChIKey is YDZKXLSBYVKDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NO/c1-6(10)5-13-8(14)7-3-2-4-9(7,11)12/h7H,1-5H2,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide?
N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide has a molecular weight of 268.10 g/mol, XLogP of 2.45, 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-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 130820590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).