2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid

C7H10FNO2 — CID 66893376

IUPAC2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESC=CC1(F)CC1(NC)C(=O)O
InChIInChI=1S/C7H10FNO2/c1-3-6(8)4-7(6,9-2)5(10)11/h3,9H,1,4H2,2H3,(H,10,11)
InChIKeyCMMGHQYJAKCDOT-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.33
Rot. Bonds3

About 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid

2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid (PubChem CID 66893376) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid
PubChem CID66893376
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESC=CC1(F)CC1(NC)C(=O)O
InChIInChI=1S/C7H10FNO2/c1-3-6(8)4-7(6,9-2)5(10)11/h3,9H,1,4H2,2H3,(H,10,11)
InChIKeyCMMGHQYJAKCDOT-UHFFFAOYSA-N
XLogP0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid
CID 123647591
2-Ethenyl-1-(ethylamino)cyclopropane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 177768266
2-Methyl-2-(2,2,2-trifluoroethylamino)hex-5-enoic acid
CID 104656057
trans-(1R,2S)-2-ethenyl-1-(propan-2-ylamino)cyclopropane-1-carboxylic acid
CID 58363623
2-Ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 59165448
trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 59319366
2-Ethenyl-1-(ethylamino)cyclopropane-1-carboxylic acid
CID 66882458
trans-(1R,2S)-2-ethenyl-1-(ethylamino)cyclopropane-1-carboxylic acid;hydrochloride
CID 66896321
trans-(1R,2S)-2-ethenyl-1-(ethylamino)cyclopropane-1-carboxylic acid
CID 66896322
trans-(1R,2S)-2-ethenyl-2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 68298492
(1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 70321119
2-Methyl-2-(methylamino)pent-4-enoic acid
CID 88137264

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid (CID 66893376) is 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid is C=CC1(F)CC1(NC)C(=O)O.
What is the InChIKey of 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid?
The InChIKey is CMMGHQYJAKCDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c1-3-6(8)4-7(6,9-2)5(10)11/h3,9H,1,4H2,2H3,(H,10,11).
What are the key properties of 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid?
2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid has a molecular weight of 159.16 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-fluoro-1-(methylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66893376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).