1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene

C22H18F6 — CID 139856544

IUPAC1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene
SMILESCCCc1ccc(CCc2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H18F6/c1-2-3-13-4-7-15(18(23)11-13)8-5-14-6-9-17-16(10-14)12-19(24)20(21(17)25)22(26,27)28/h4,6-7,9-12H,2-3,5,8H2,1H3
InChIKeyFMDBGNTYQMJMNH-UHFFFAOYSA-N
MW396.37 g/mol
LogP7.01
Rot. Bonds5

About 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene

1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene (PubChem CID 139856544) has the molecular formula C22H18F6 and a molecular weight of 396.37 g/mol. Its IUPAC name is 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene
PubChem CID139856544
Molecular FormulaC22H18F6
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene
SMILESCCCc1ccc(CCc2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H18F6/c1-2-3-13-4-7-15(18(23)11-13)8-5-14-6-9-17-16(10-14)12-19(24)20(21(17)25)22(26,27)28/h4,6-7,9-12H,2-3,5,8H2,1H3
InChIKeyFMDBGNTYQMJMNH-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872661
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856361
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine
CID 139873515
6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139850766
1,3-difluoro-6-(4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139855742
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139855624
2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139855555
1-fluoro-6-[2-(4-propylphenyl)ethyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872367
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-[2-(4-ethoxy-2,6-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139874977
1,2,3-trifluoro-6-[2-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]ethynyl]naphthalene
CID 139859043

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene?
The IUPAC name of 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene (CID 139856544) is 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene is CCCc1ccc(CCc2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene?
The InChIKey is FMDBGNTYQMJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6/c1-2-3-13-4-7-15(18(23)11-13)8-5-14-6-9-17-16(10-14)12-19(24)20(21(17)25)22(26,27)28/h4,6-7,9-12H,2-3,5,8H2,1H3.
What are the key properties of 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene?
1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene has a molecular weight of 396.37 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139856544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).