2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole

C7H8FN — CID 170447003

IUPAC2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole
SMILESC/C(=C/C1=NC=CC1)/F
InChIInChI=1S/C7H8FN/c1-6(8)5-7-3-2-4-9-7/h2,4-5H,3H2,1H3/b6-5-
InChIKeyWNCUURMCELOCMY-WAYWQWQTSA-N
MW125.14 g/mol
LogP0.90
Rot. Bonds1

About 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole

2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole (PubChem CID 170447003) has the molecular formula C7H8FN and a molecular weight of 125.14 g/mol. Its IUPAC name is 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole
PubChem CID170447003
Molecular FormulaC7H8FN
Molecular Weight125.14 g/mol
Exact Mass125.06
IUPAC Name2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole
SMILESC/C(=C/C1=NC=CC1)/F
InChIInChI=1S/C7H8FN/c1-6(8)5-7-3-2-4-9-7/h2,4-5H,3H2,1H3/b6-5-
InChIKeyWNCUURMCELOCMY-WAYWQWQTSA-N
XLogP0.90
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity189

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.14
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874
ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
CID 144801043
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
CID 155204692
(Z)-N-ethenyl-1,1,1-trifluoropent-3-en-2-imine
CID 155236673
(Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine
CID 166865280
(Z)-N-[(E)-2-fluoroethenyl]pent-3-en-2-imine
CID 166865306
(Z)-N-ethyl-5-fluoropent-3-en-2-imine
CID 166974523
4-fluoro-7-methyl-4H-azepine
CID 167263832
(Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine
CID 170076206

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole?
The IUPAC name of 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole (CID 170447003) is 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole.
What is the SMILES notation for 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole?
The canonical SMILES for 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole is C/C(=C/C1=NC=CC1)/F.
What is the InChIKey of 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole?
The InChIKey is WNCUURMCELOCMY-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H8FN/c1-6(8)5-7-3-2-4-9-7/h2,4-5H,3H2,1H3/b6-5-.
What are the key properties of 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole?
2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole has a molecular weight of 125.14 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole is sourced from PubChem (CID 170447003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).