2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene

C13H9F3 — CID 11183643

IUPAC2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene
SMILESFC(F)(F)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C13H9F3/c14-13(15,16)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H/b8-7+
InChIKeyLUDPTKMULHKDEW-BQYQJAHWSA-N
MW222.21 g/mol
LogP4.42
Rot. Bonds1

About 2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene

2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene (PubChem CID 11183643) has the molecular formula C13H9F3 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene
PubChem CID11183643
Molecular FormulaC13H9F3
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene
SMILESFC(F)(F)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C13H9F3/c14-13(15,16)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H/b8-7+
InChIKeyLUDPTKMULHKDEW-BQYQJAHWSA-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-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene?
The IUPAC name of 2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene (CID 11183643) is 2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene?
The canonical SMILES for 2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene is FC(F)(F)/C=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene?
The InChIKey is LUDPTKMULHKDEW-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H9F3/c14-13(15,16)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H/b8-7+.
What are the key properties of 2-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene?
2-[(E)-3,3,3-trifluoroprop-1-enyl]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-[(E)-3,3,3-trifluoroprop-1-enyl]naphthalene is sourced from PubChem (CID 11183643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).