2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene

C23H20F4 — CID 139855624

IUPAC2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
SMILESCCCc1ccc(CCc2ccc3c(F)c(C=C(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H20F4/c1-2-3-15-4-7-17(21(24)13-15)8-5-16-6-11-20-18(12-16)9-10-19(23(20)27)14-22(25)26/h4,6-7,9-14H,2-3,5,8H2,1H3
InChIKeyBLXIADDZRWMEEP-UHFFFAOYSA-N
MW372.41 g/mol
LogP7.09
Rot. Bonds6

About 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene

2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene (PubChem CID 139855624) has the molecular formula C23H20F4 and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
PubChem CID139855624
Molecular FormulaC23H20F4
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
SMILESCCCc1ccc(CCc2ccc3c(F)c(C=C(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H20F4/c1-2-3-15-4-7-17(21(24)13-15)8-5-16-6-11-20-18(12-16)9-10-19(23(20)27)14-22(25)26/h4,6-7,9-14H,2-3,5,8H2,1H3
InChIKeyBLXIADDZRWMEEP-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.41
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139855966
2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139855555
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139873908
1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene
CID 139856544
1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139874274
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872661
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalene
CID 139874282
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872431
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
CID 139871149
4-[2-[6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2,6-difluorobenzonitrile
CID 139871184
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139871753

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene (CID 139855624) is 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene is CCCc1ccc(CCc2ccc3c(F)c(C=C(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene?
The InChIKey is BLXIADDZRWMEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4/c1-2-3-15-4-7-17(21(24)13-15)8-5-16-6-11-20-18(12-16)9-10-19(23(20)27)14-22(25)26/h4,6-7,9-14H,2-3,5,8H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene?
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene has a molecular weight of 372.41 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene is sourced from PubChem (CID 139855624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).