2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene

C21H17F3 — CID 139855803

IUPAC2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene
SMILESCCCc1ccc(-c2ccc3cc(C=C(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C21H17F3/c1-2-3-14-5-9-19(20(22)11-14)18-8-7-16-10-15(12-21(23)24)4-6-17(16)13-18/h4-13H,2-3H2,1H3
InChIKeyXZUAIGLPVVXSSU-UHFFFAOYSA-N
MW326.36 g/mol
LogP6.84
Rot. Bonds4

About 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene

2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene (PubChem CID 139855803) has the molecular formula C21H17F3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene
PubChem CID139855803
Molecular FormulaC21H17F3
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene
SMILESCCCc1ccc(-c2ccc3cc(C=C(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C21H17F3/c1-2-3-14-5-9-19(20(22)11-14)18-8-7-16-10-15(12-21(23)24)4-6-17(16)13-18/h4-13H,2-3H2,1H3
InChIKeyXZUAIGLPVVXSSU-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139855966
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
CID 139847283
2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139856184
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
8-fluoro-6-(2-fluoro-4-propylphenyl)naphthalen-2-ol
CID 139849957
2,3-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethynyl]phenyl]naphthalene
CID 139846966
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene (CID 139855803) is 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene is CCCc1ccc(-c2ccc3cc(C=C(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene?
The InChIKey is XZUAIGLPVVXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3/c1-2-3-14-5-9-19(20(22)11-14)18-8-7-16-10-15(12-21(23)24)4-6-17(16)13-18/h4-13H,2-3H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene?
2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene has a molecular weight of 326.36 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-6-(2-fluoro-4-propylphenyl)naphthalene is sourced from PubChem (CID 139855803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).