6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene

C23H20F6O — CID 139856604

IUPAC6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESCCCCCc1cc(F)c(-c2ccc3c(F)c(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H20F6O/c1-2-3-4-5-14-10-18(24)21(19(25)11-14)16-6-8-17-15(12-16)7-9-20(22(17)26)30-13-23(27,28)29/h6-12H,2-5,13H2,1H3
InChIKeySOTAEYZKLOFSKZ-UHFFFAOYSA-N
MW426.40 g/mol
LogP7.60
Rot. Bonds7

About 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene

6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 139856604) has the molecular formula C23H20F6O and a molecular weight of 426.40 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID139856604
Molecular FormulaC23H20F6O
Molecular Weight426.40 g/mol
Exact Mass426.14
IUPAC Name6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESCCCCCc1cc(F)c(-c2ccc3c(F)c(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H20F6O/c1-2-3-4-5-14-10-18(24)21(19(25)11-14)16-6-8-17-15(12-16)7-9-20(22(17)26)30-13-23(27,28)29/h6-12H,2-5,13H2,1H3
InChIKeySOTAEYZKLOFSKZ-UHFFFAOYSA-N
XLogP7.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856403
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855410
6-(2,6-difluoro-4-hexylphenyl)-2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139875377
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855641
6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855843
6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855536
1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-(4-pentoxyphenyl)naphthalene
CID 139873703
1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-(4-hexoxyphenyl)naphthalene
CID 139875314
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalene
CID 139874454
2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-heptylpyrimidine
CID 139874769
1-fluoro-6-(4-heptylphenyl)-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874489
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139856344

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene (CID 139856604) is 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene is CCCCCc1cc(F)c(-c2ccc3c(F)c(OCC(F)(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is SOTAEYZKLOFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6O/c1-2-3-4-5-14-10-18(24)21(19(25)11-14)16-6-8-17-15(12-16)7-9-20(22(17)26)30-13-23(27,28)29/h6-12H,2-5,13H2,1H3.
What are the key properties of 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene?
6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 426.40 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 139856604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).