1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene

C19H14F4 — CID 58761244

IUPAC1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene
SMILESCCCc1cc(F)c2cc(-c3cc(F)c(F)c(F)c3)ccc2c1
InChIInChI=1S/C19H14F4/c1-2-3-11-6-13-5-4-12(8-15(13)16(20)7-11)14-9-17(21)19(23)18(22)10-14/h4-10H,2-3H2,1H3
InChIKeyVRDVZEOIXPSODD-UHFFFAOYSA-N
MW318.31 g/mol
LogP6.02
Rot. Bonds3

About 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene

1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene (PubChem CID 58761244) has the molecular formula C19H14F4 and a molecular weight of 318.31 g/mol. Its IUPAC name is 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene.

Molecular Properties

Compound Name1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene
PubChem CID58761244
Molecular FormulaC19H14F4
Molecular Weight318.31 g/mol
Exact Mass318.10
IUPAC Name1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene
SMILESCCCc1cc(F)c2cc(-c3cc(F)c(F)c(F)c3)ccc2c1
InChIInChI=1S/C19H14F4/c1-2-3-11-6-13-5-4-12(8-15(13)16(20)7-11)14-9-17(21)19(23)18(22)10-14/h4-10H,2-3H2,1H3
InChIKeyVRDVZEOIXPSODD-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.31
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-propyl-7-(3,4,5-trifluorophenyl)phenanthrene
CID 22044943
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
8-fluoro-6-(2-fluoro-4-propylphenyl)naphthalen-2-ol
CID 139849957
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]-2-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 90410644
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871424
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
CID 139847336
6-(4-ethylphenyl)-8-fluoronaphthalen-2-ol
CID 139850074
6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene?
The IUPAC name of 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene (CID 58761244) is 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene.
What is the SMILES notation for 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene?
The canonical SMILES for 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene is CCCc1cc(F)c2cc(-c3cc(F)c(F)c(F)c3)ccc2c1.
What is the InChIKey of 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene?
The InChIKey is VRDVZEOIXPSODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4/c1-2-3-11-6-13-5-4-12(8-15(13)16(20)7-11)14-9-17(21)19(23)18(22)10-14/h4-10H,2-3H2,1H3.
What are the key properties of 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene?
1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene has a molecular weight of 318.31 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene is sourced from PubChem (CID 58761244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).