6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol

C20H16F4O — CID 139849915

IUPAC6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol
SMILESCCCCc1cc(F)c(-c2cc(F)c3c(F)c(O)ccc3c2)c(F)c1
InChIInChI=1S/C20H16F4O/c1-2-3-4-11-7-14(21)18(15(22)8-11)13-9-12-5-6-17(25)20(24)19(12)16(23)10-13/h5-10,25H,2-4H2,1H3
InChIKeyLUXRKHKHNVXJSW-UHFFFAOYSA-N
MW348.34 g/mol
LogP6.11
Rot. Bonds4

About 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol

6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol (PubChem CID 139849915) has the molecular formula C20H16F4O and a molecular weight of 348.34 g/mol. Its IUPAC name is 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol.

Molecular Properties

Compound Name6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol
PubChem CID139849915
Molecular FormulaC20H16F4O
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC Name6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol
SMILESCCCCc1cc(F)c(-c2cc(F)c3c(F)c(O)ccc3c2)c(F)c1
InChIInChI=1S/C20H16F4O/c1-2-3-4-11-7-14(21)18(15(22)8-11)13-9-12-5-6-17(25)20(24)19(12)16(23)10-13/h5-10,25H,2-4H2,1H3
InChIKeyLUXRKHKHNVXJSW-UHFFFAOYSA-N
XLogP6.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.34
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol
CID 139849914
1,8-difluoro-6-(4-pentylphenyl)naphthalen-2-ol
CID 139849886
6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847349
6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol
CID 139849979
[6-(2,6-difluoro-4-pentylphenyl)-1,8-difluoronaphthalen-2-yl] trifluoromethanesulfonate
CID 139849944
2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene
CID 139855232
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139847069
1-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118593552
6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139871294
2-(4-butylphenyl)-3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenol
CID 173325915
6-(4-butyl-2,6-difluorophenyl)-2-[2-(4-chlorophenyl)ethyl]-1-fluoronaphthalene
CID 139873026
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene
CID 139846711

Frequently Asked Questions

What is the IUPAC name of 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol?
The IUPAC name of 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol (CID 139849915) is 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol.
What is the SMILES notation for 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol?
The canonical SMILES for 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol is CCCCc1cc(F)c(-c2cc(F)c3c(F)c(O)ccc3c2)c(F)c1.
What is the InChIKey of 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol?
The InChIKey is LUXRKHKHNVXJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4O/c1-2-3-4-11-7-14(21)18(15(22)8-11)13-9-12-5-6-17(25)20(24)19(12)16(23)10-13/h5-10,25H,2-4H2,1H3.
What are the key properties of 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol?
6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol has a molecular weight of 348.34 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol is sourced from PubChem (CID 139849915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).