2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene

C10H10ClFO — CID 169477196

IUPAC2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(C=CCCl)c1
InChIInChI=1S/C10H10ClFO/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7H,6H2,1H3
InChIKeyKCZULTCJXFNNED-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.09
Rot. Bonds3

About 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene

2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene (PubChem CID 169477196) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene
PubChem CID169477196
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(C=CCCl)c1
InChIInChI=1S/C10H10ClFO/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7H,6H2,1H3
InChIKeyKCZULTCJXFNNED-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluoro-5-methoxyphenyl)prop-2-enenitrile
CID 70274102
N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide
CID 54485824
2-(3-chloroprop-1-enyl)-1-fluoro-4-nitrobenzene
CID 169477708
(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 103396908
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 169464324
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169456007
2-(3-aminoprop-1-enyl)-4-methoxyaniline
CID 169463650
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
CID 169453185
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
CID 169476910
chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane
CID 19007208

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene?
The IUPAC name of 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene (CID 169477196) is 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene.
What is the SMILES notation for 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene?
The canonical SMILES for 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene is COc1ccc(F)c(C=CCCl)c1.
What is the InChIKey of 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene?
The InChIKey is KCZULTCJXFNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene?
2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene has a molecular weight of 200.64 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene is sourced from PubChem (CID 169477196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).