2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene

C13H9F3 — CID 12066037

IUPAC2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene
SMILESC=C(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H9F3/c1-9(13(14,15)16)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H2
InChIKeyJKFBOMQHQVCBOJ-UHFFFAOYSA-N
MW222.21 g/mol
LogP4.42
Rot. Bonds1

About 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene

2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene (PubChem CID 12066037) has the molecular formula C13H9F3 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene.

Molecular Properties

Compound Name2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene
PubChem CID12066037
Molecular FormulaC13H9F3
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene
SMILESC=C(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H9F3/c1-9(13(14,15)16)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H2
InChIKeyJKFBOMQHQVCBOJ-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene?
The IUPAC name of 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene (CID 12066037) is 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene.
What is the SMILES notation for 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene?
The canonical SMILES for 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene is C=C(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene?
The InChIKey is JKFBOMQHQVCBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3/c1-9(13(14,15)16)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H2.
What are the key properties of 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene?
2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene has a molecular weight of 222.21 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoroprop-1-en-2-yl)naphthalene is sourced from PubChem (CID 12066037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).