2-chloro-3-fluoronaphthalene

C10H6ClF — CID 54436658

IUPAC2-chloro-3-fluoronaphthalene
SMILESFc1cc2ccccc2cc1Cl
InChIInChI=1S/C10H6ClF/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
InChIKeySQFAQAOTBQMXEV-UHFFFAOYSA-N
MW180.61 g/mol
LogP3.63
Rot. Bonds

About 2-chloro-3-fluoronaphthalene

2-chloro-3-fluoronaphthalene (PubChem CID 54436658) has the molecular formula C10H6ClF and a molecular weight of 180.61 g/mol. Its IUPAC name is 2-chloro-3-fluoronaphthalene.

Molecular Properties

Compound Name2-chloro-3-fluoronaphthalene
PubChem CID54436658
Molecular FormulaC10H6ClF
Molecular Weight180.61 g/mol
Exact Mass180.01
IUPAC Name2-chloro-3-fluoronaphthalene
SMILESFc1cc2ccccc2cc1Cl
InChIInChI=1S/C10H6ClF/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
InChIKeySQFAQAOTBQMXEV-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.61
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloronaphthalene;naphthalene
CID 159169098
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CID 105218102
(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
CID 82772989
1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
CID 82772676
1,2-dichlorobenzene;naphthalene
CID 162050769
2-chloro-3-propan-2-ylnaphthalene
CID 122693592
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535
lithium anthracene
CID 22662646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoronaphthalene?
The IUPAC name of 2-chloro-3-fluoronaphthalene (CID 54436658) is 2-chloro-3-fluoronaphthalene.
What is the SMILES notation for 2-chloro-3-fluoronaphthalene?
The canonical SMILES for 2-chloro-3-fluoronaphthalene is Fc1cc2ccccc2cc1Cl.
What is the InChIKey of 2-chloro-3-fluoronaphthalene?
The InChIKey is SQFAQAOTBQMXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H.
What are the key properties of 2-chloro-3-fluoronaphthalene?
2-chloro-3-fluoronaphthalene has a molecular weight of 180.61 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoronaphthalene is sourced from PubChem (CID 54436658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).