1-chloro-7-methyl-3-(trifluoromethyl)naphthalene

C12H8ClF3 — CID 90487855

IUPAC1-chloro-7-methyl-3-(trifluoromethyl)naphthalene
SMILESCc1ccc2cc(C(F)(F)F)cc(Cl)c2c1
InChIInChI=1S/C12H8ClF3/c1-7-2-3-8-5-9(12(14,15)16)6-11(13)10(8)4-7/h2-6H,1H3
InChIKeyGQMKIFDAGQTPTQ-UHFFFAOYSA-N
MW244.64 g/mol
LogP4.82
Rot. Bonds

About 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene

1-chloro-7-methyl-3-(trifluoromethyl)naphthalene (PubChem CID 90487855) has the molecular formula C12H8ClF3 and a molecular weight of 244.64 g/mol. Its IUPAC name is 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1-chloro-7-methyl-3-(trifluoromethyl)naphthalene
PubChem CID90487855
Molecular FormulaC12H8ClF3
Molecular Weight244.64 g/mol
Exact Mass244.03
IUPAC Name1-chloro-7-methyl-3-(trifluoromethyl)naphthalene
SMILESCc1ccc2cc(C(F)(F)F)cc(Cl)c2c1
InChIInChI=1S/C12H8ClF3/c1-7-2-3-8-5-9(12(14,15)16)6-11(13)10(8)4-7/h2-6H,1H3
InChIKeyGQMKIFDAGQTPTQ-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene?
The IUPAC name of 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene (CID 90487855) is 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene?
The canonical SMILES for 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene is Cc1ccc2cc(C(F)(F)F)cc(Cl)c2c1.
What is the InChIKey of 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene?
The InChIKey is GQMKIFDAGQTPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3/c1-7-2-3-8-5-9(12(14,15)16)6-11(13)10(8)4-7/h2-6H,1H3.
What are the key properties of 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene?
1-chloro-7-methyl-3-(trifluoromethyl)naphthalene has a molecular weight of 244.64 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methyl-3-(trifluoromethyl)naphthalene is sourced from PubChem (CID 90487855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).