6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene

C16H16F2 — CID 176984568

IUPAC6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene
SMILESCCc1cccc2cc(C3CC3)c(C(F)F)cc12
InChIInChI=1S/C16H16F2/c1-2-10-4-3-5-12-8-14(11-6-7-11)15(16(17)18)9-13(10)12/h3-5,8-9,11,16H,2,6-7H2,1H3
InChIKeyNHKJDWPHFXARNT-UHFFFAOYSA-N
MW246.30 g/mol
LogP5.22
Rot. Bonds3

About 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene

6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene (PubChem CID 176984568) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene.

Molecular Properties

Compound Name6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene
PubChem CID176984568
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene
SMILESCCc1cccc2cc(C3CC3)c(C(F)F)cc12
InChIInChI=1S/C16H16F2/c1-2-10-4-3-5-12-8-14(11-6-7-11)15(16(17)18)9-13(10)12/h3-5,8-9,11,16H,2,6-7H2,1H3
InChIKeyNHKJDWPHFXARNT-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.30
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene?
The IUPAC name of 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene (CID 176984568) is 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene.
What is the SMILES notation for 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene?
The canonical SMILES for 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene is CCc1cccc2cc(C3CC3)c(C(F)F)cc12.
What is the InChIKey of 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene?
The InChIKey is NHKJDWPHFXARNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-2-10-4-3-5-12-8-14(11-6-7-11)15(16(17)18)9-13(10)12/h3-5,8-9,11,16H,2,6-7H2,1H3.
What are the key properties of 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene?
6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene has a molecular weight of 246.30 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-(difluoromethyl)-1-ethylnaphthalene is sourced from PubChem (CID 176984568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).