1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene

C13H14ClFO — CID 123172755

IUPAC1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene
SMILESCC=C(OC)C1CC1c1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFO/c1-3-12(16-2)10-7-9(10)8-5-4-6-11(14)13(8)15/h3-6,9-10H,7H2,1-2H3
InChIKeyNGWXLKDZHIANBA-UHFFFAOYSA-N
MW240.70 g/mol
LogP4.13
Rot. Bonds3

About 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene

1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene (PubChem CID 123172755) has the molecular formula C13H14ClFO and a molecular weight of 240.70 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene
PubChem CID123172755
Molecular FormulaC13H14ClFO
Molecular Weight240.70 g/mol
Exact Mass240.07
IUPAC Name1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene
SMILESCC=C(OC)C1CC1c1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFO/c1-3-12(16-2)10-7-9(10)8-5-4-6-11(14)13(8)15/h3-6,9-10H,7H2,1-2H3
InChIKeyNGWXLKDZHIANBA-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene?
The IUPAC name of 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene (CID 123172755) is 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene is CC=C(OC)C1CC1c1cccc(Cl)c1F.
What is the InChIKey of 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene?
The InChIKey is NGWXLKDZHIANBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO/c1-3-12(16-2)10-7-9(10)8-5-4-6-11(14)13(8)15/h3-6,9-10H,7H2,1-2H3.
What are the key properties of 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene?
1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene has a molecular weight of 240.70 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-[2-(1-methoxyprop-1-enyl)cyclopropyl]benzene is sourced from PubChem (CID 123172755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).