2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene

C13H7F7 — CID 125484046

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene
SMILESFC(F)(F)C(F)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H7F7/c14-11(12(15,16)17,13(18,19)20)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyYJSZKBRBJZKRTE-UHFFFAOYSA-N
MW296.19 g/mol
LogP5.13
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene (PubChem CID 125484046) has the molecular formula C13H7F7 and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene
PubChem CID125484046
Molecular FormulaC13H7F7
Molecular Weight296.19 g/mol
Exact Mass296.04
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene
SMILESFC(F)(F)C(F)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H7F7/c14-11(12(15,16)17,13(18,19)20)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyYJSZKBRBJZKRTE-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.19
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene (CID 125484046) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene is FC(F)(F)C(F)(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene?
The InChIKey is YJSZKBRBJZKRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F7/c14-11(12(15,16)17,13(18,19)20)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene has a molecular weight of 296.19 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene is sourced from PubChem (CID 125484046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).