N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide

C9H13BrFNO — CID 130626881

IUPACN-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(F)CCCC1
InChIInChI=1S/C9H13BrFNO/c1-7(10)6-12-8(13)9(11)4-2-3-5-9/h1-6H2,(H,12,13)
InChIKeyIIZFRAWAXACNHZ-UHFFFAOYSA-N
MW250.11 g/mol
LogP2.29
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide

N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide (PubChem CID 130626881) has the molecular formula C9H13BrFNO and a molecular weight of 250.11 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide
PubChem CID130626881
Molecular FormulaC9H13BrFNO
Molecular Weight250.11 g/mol
Exact Mass249.02
IUPAC NameN-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(F)CCCC1
InChIInChI=1S/C9H13BrFNO/c1-7(10)6-12-8(13)9(11)4-2-3-5-9/h1-6H2,(H,12,13)
InChIKeyIIZFRAWAXACNHZ-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide
CID 126996518
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3-fluoro-N-prop-2-enylcyclopentane-1-carboxamide
CID 130708195
3-fluoro-N-(2-methylprop-2-enyl)cyclopentane-1-carboxamide
CID 130734810
1-fluoro-N-prop-2-enylcyclopentane-1-carboxamide
CID 130742392
N-(2-bromoprop-2-enyl)-2,2-difluorocyclopentane-1-carboxamide
CID 130820590
N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide
CID 47438973
N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide
CID 103707123
N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide
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N-(2-bromoprop-2-enyl)-2-ethylhexanamide
CID 115594362
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CID 115594613

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide (CID 130626881) is N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide is C=C(Br)CNC(=O)C1(F)CCCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide?
The InChIKey is IIZFRAWAXACNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrFNO/c1-7(10)6-12-8(13)9(11)4-2-3-5-9/h1-6H2,(H,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide?
N-(2-bromoprop-2-enyl)-1-fluorocyclopentane-1-carboxamide has a molecular weight of 250.11 g/mol, XLogP of 2.29, 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)-1-fluorocyclopentane-1-carboxamide is sourced from PubChem (CID 130626881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).