1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene

C17H10F4 — CID 118819191

IUPAC1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene
SMILESFc1cc(-c2cccc(C(F)(F)F)c2)cc2ccccc12
InChIInChI=1S/C17H10F4/c18-16-10-13(8-12-4-1-2-7-15(12)16)11-5-3-6-14(9-11)17(19,20)21/h1-10H
InChIKeyMQGSSZFHSKGBCG-UHFFFAOYSA-N
MW290.26 g/mol
LogP5.66
Rot. Bonds1

About 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene

1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene (PubChem CID 118819191) has the molecular formula C17H10F4 and a molecular weight of 290.26 g/mol. Its IUPAC name is 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene
PubChem CID118819191
Molecular FormulaC17H10F4
Molecular Weight290.26 g/mol
Exact Mass290.07
IUPAC Name1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene
SMILESFc1cc(-c2cccc(C(F)(F)F)c2)cc2ccccc12
InChIInChI=1S/C17H10F4/c18-16-10-13(8-12-4-1-2-7-15(12)16)11-5-3-6-14(9-11)17(19,20)21/h1-10H
InChIKeyMQGSSZFHSKGBCG-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.26
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-3-(3-fluorophenyl)naphthalene
CID 46313976
2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
CID 134627781
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-deuterionaphthalen-1-yl]-2-deuterionaphthalene
CID 175746601
7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene
CID 170391397
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol;zirconium(2+);dicyanide
CID 11297071
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene
CID 159473624
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene?
The IUPAC name of 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene (CID 118819191) is 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene.
What is the SMILES notation for 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene?
The canonical SMILES for 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene is Fc1cc(-c2cccc(C(F)(F)F)c2)cc2ccccc12.
What is the InChIKey of 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene?
The InChIKey is MQGSSZFHSKGBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4/c18-16-10-13(8-12-4-1-2-7-15(12)16)11-5-3-6-14(9-11)17(19,20)21/h1-10H.
What are the key properties of 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene?
1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene has a molecular weight of 290.26 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene is sourced from PubChem (CID 118819191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).