1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene

C19H13F3 — CID 102364058

IUPAC1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
SMILESC=C(c1ccc(-c2cccc3ccccc23)cc1)C(F)(F)F
InChIInChI=1S/C19H13F3/c1-13(19(20,21)22)14-9-11-16(12-10-14)18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H2
InChIKeyJSYVYIVHINGMON-UHFFFAOYSA-N
MW298.31 g/mol
LogP6.08
Rot. Bonds2

About 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene

1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene (PubChem CID 102364058) has the molecular formula C19H13F3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene.

Molecular Properties

Compound Name1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
PubChem CID102364058
Molecular FormulaC19H13F3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
SMILESC=C(c1ccc(-c2cccc3ccccc23)cc1)C(F)(F)F
InChIInChI=1S/C19H13F3/c1-13(19(20,21)22)14-9-11-16(12-10-14)18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H2
InChIKeyJSYVYIVHINGMON-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.31
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-naphthalen-1-ylbenzoic acid
CID 2760151
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
CID 145073064
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
1-[4-(3-methylbuta-1,3-dienyl)phenyl]naphthalene
CID 123732172
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene?
The IUPAC name of 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene (CID 102364058) is 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene.
What is the SMILES notation for 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene?
The canonical SMILES for 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene is C=C(c1ccc(-c2cccc3ccccc23)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene?
The InChIKey is JSYVYIVHINGMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3/c1-13(19(20,21)22)14-9-11-16(12-10-14)18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H2.
What are the key properties of 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene?
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene has a molecular weight of 298.31 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene is sourced from PubChem (CID 102364058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).