1-(trichloromethyl)naphthalene

C11H7Cl3 — CID 12791328

IUPAC1-(trichloromethyl)naphthalene
SMILESClC(Cl)(Cl)c1cccc2ccccc12
InChIInChI=1S/C11H7Cl3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeySOUOHLDNLSUZMH-UHFFFAOYSA-N
MW245.54 g/mol
LogP4.67
Rot. Bonds

About 1-(trichloromethyl)naphthalene

1-(trichloromethyl)naphthalene (PubChem CID 12791328) has the molecular formula C11H7Cl3 and a molecular weight of 245.54 g/mol. Its IUPAC name is 1-(trichloromethyl)naphthalene.

Molecular Properties

Compound Name1-(trichloromethyl)naphthalene
PubChem CID12791328
Molecular FormulaC11H7Cl3
Molecular Weight245.54 g/mol
Exact Mass243.96
IUPAC Name1-(trichloromethyl)naphthalene
SMILESClC(Cl)(Cl)c1cccc2ccccc12
InChIInChI=1S/C11H7Cl3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeySOUOHLDNLSUZMH-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.54
LogP ≤ 54.67
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

1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene
CID 140973292
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1,3-bis(trichloromethyl)naphthalene
CID 21412931
[2-(trichloromethyl)phenyl]methanol
CID 20975681
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
2-fluoro-1,1,2-trinaphthalen-1-ylethanol
CID 102110892
1-chloro-2-(trichloromethyl)benzene
CID 16494
1-[difluoro(methylsulfanyl)methyl]naphthalene
CID 14982601
1-tert-butylnaphthalene;deca-1,3,5,7,9-pentayne;molecular hydrogen
CID 159684662

Frequently Asked Questions

What is the IUPAC name of 1-(trichloromethyl)naphthalene?
The IUPAC name of 1-(trichloromethyl)naphthalene (CID 12791328) is 1-(trichloromethyl)naphthalene.
What is the SMILES notation for 1-(trichloromethyl)naphthalene?
The canonical SMILES for 1-(trichloromethyl)naphthalene is ClC(Cl)(Cl)c1cccc2ccccc12.
What is the InChIKey of 1-(trichloromethyl)naphthalene?
The InChIKey is SOUOHLDNLSUZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-(trichloromethyl)naphthalene?
1-(trichloromethyl)naphthalene has a molecular weight of 245.54 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trichloromethyl)naphthalene is sourced from PubChem (CID 12791328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).