1-(4-chlorobut-1-enyl)-4-fluoronaphthalene

C14H12ClF — CID 170499825

IUPAC1-(4-chlorobut-1-enyl)-4-fluoronaphthalene
SMILESFc1ccc(C=CCCCl)c2ccccc12
InChIInChI=1S/C14H12ClF/c15-10-4-3-5-11-8-9-14(16)13-7-2-1-6-12(11)13/h1-3,5-9H,4,10H2
InChIKeyPEVNRJXQIHUFMK-UHFFFAOYSA-N
MW234.70 g/mol
LogP4.62
Rot. Bonds3

About 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene

1-(4-chlorobut-1-enyl)-4-fluoronaphthalene (PubChem CID 170499825) has the molecular formula C14H12ClF and a molecular weight of 234.70 g/mol. Its IUPAC name is 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene.

Molecular Properties

Compound Name1-(4-chlorobut-1-enyl)-4-fluoronaphthalene
PubChem CID170499825
Molecular FormulaC14H12ClF
Molecular Weight234.70 g/mol
Exact Mass234.06
IUPAC Name1-(4-chlorobut-1-enyl)-4-fluoronaphthalene
SMILESFc1ccc(C=CCCCl)c2ccccc12
InChIInChI=1S/C14H12ClF/c15-10-4-3-5-11-8-9-14(16)13-7-2-1-6-12(11)13/h1-3,5-9H,4,10H2
InChIKeyPEVNRJXQIHUFMK-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorobut-1-enyl)-4-fluoroaniline
CID 170498824
5-(4-chlorobut-1-enyl)naphthalene-1-carboxylic acid
CID 170500066
[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol
CID 170499033
3-(4-chlorobut-1-enyl)-2,6-difluoropyridine
CID 170498887
1-[(Z)-6-chlorohex-1-enyl]naphthalene
CID 11842886
N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine
CID 170499230
benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
CID 169472312
5-chloro-2-(4-chlorobut-1-enyl)benzoic acid
CID 170499387
1-(4-chlorobut-1-enyl)-3,5-difluoro-2-methoxybenzene
CID 170499449
1-(4-chlorobut-1-enyl)-2-ethoxybenzene
CID 79602930
2-[(E)-4-chlorobut-1-enyl]aniline;ethenamine
CID 144811193
4-(4-chlorobut-1-enyl)-2,5-difluorobenzonitrile
CID 170499521

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene?
The IUPAC name of 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene (CID 170499825) is 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene.
What is the SMILES notation for 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene?
The canonical SMILES for 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene is Fc1ccc(C=CCCCl)c2ccccc12.
What is the InChIKey of 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene?
The InChIKey is PEVNRJXQIHUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF/c15-10-4-3-5-11-8-9-14(16)13-7-2-1-6-12(11)13/h1-3,5-9H,4,10H2.
What are the key properties of 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene?
1-(4-chlorobut-1-enyl)-4-fluoronaphthalene has a molecular weight of 234.70 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobut-1-enyl)-4-fluoronaphthalene is sourced from PubChem (CID 170499825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).