1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene

C16H8Cl3F — CID 118847360

IUPAC1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
SMILESFc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c2ccccc12
InChIInChI=1S/C16H8Cl3F/c17-13-7-5-12(15(18)16(13)19)10-6-8-14(20)11-4-2-1-3-9(10)11/h1-8H
InChIKeyUSMORHWDLNFRCU-UHFFFAOYSA-N
MW325.60 g/mol
LogP6.61
Rot. Bonds1

About 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene

1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene (PubChem CID 118847360) has the molecular formula C16H8Cl3F and a molecular weight of 325.60 g/mol. Its IUPAC name is 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene.

Molecular Properties

Compound Name1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
PubChem CID118847360
Molecular FormulaC16H8Cl3F
Molecular Weight325.60 g/mol
Exact Mass323.97
IUPAC Name1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
SMILESFc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c2ccccc12
InChIInChI=1S/C16H8Cl3F/c17-13-7-5-12(15(18)16(13)19)10-6-8-14(20)11-4-2-1-3-9(10)11/h1-8H
InChIKeyUSMORHWDLNFRCU-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.60
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene?
The IUPAC name of 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene (CID 118847360) is 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene.
What is the SMILES notation for 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene?
The canonical SMILES for 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene is Fc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c2ccccc12.
What is the InChIKey of 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene?
The InChIKey is USMORHWDLNFRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3F/c17-13-7-5-12(15(18)16(13)19)10-6-8-14(20)11-4-2-1-3-9(10)11/h1-8H.
What are the key properties of 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene?
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene has a molecular weight of 325.60 g/mol, XLogP of 6.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene is sourced from PubChem (CID 118847360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).