6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol

C26H28F2O — CID 139850003

IUPAC6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
SMILESCCCCC1CCC(c2ccc(-c3ccc4c(F)c(O)ccc4c3)c(F)c2)CC1
InChIInChI=1S/C26H28F2O/c1-2-3-4-17-5-7-18(8-6-17)19-9-12-22(24(27)16-19)20-10-13-23-21(15-20)11-14-25(29)26(23)28/h9-18,29H,2-8H2,1H3
InChIKeyBBQSGUJDLRKCBX-UHFFFAOYSA-N
MW394.51 g/mol
LogP7.95
Rot. Bonds5

About 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol

6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol (PubChem CID 139850003) has the molecular formula C26H28F2O and a molecular weight of 394.51 g/mol. Its IUPAC name is 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol.

Molecular Properties

Compound Name6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
PubChem CID139850003
Molecular FormulaC26H28F2O
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
SMILESCCCCC1CCC(c2ccc(-c3ccc4c(F)c(O)ccc4c3)c(F)c2)CC1
InChIInChI=1S/C26H28F2O/c1-2-3-4-17-5-7-18(8-6-17)19-9-12-22(24(27)16-19)20-10-13-23-21(15-20)11-14-25(29)26(23)28/h9-18,29H,2-8H2,1H3
InChIKeyBBQSGUJDLRKCBX-UHFFFAOYSA-N
XLogP7.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1,2,3-trifluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 160628288
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
CID 122609106
2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene
CID 139856385
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol
CID 139849979
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 59874068

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol?
The IUPAC name of 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol (CID 139850003) is 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol.
What is the SMILES notation for 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol?
The canonical SMILES for 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol is CCCCC1CCC(c2ccc(-c3ccc4c(F)c(O)ccc4c3)c(F)c2)CC1.
What is the InChIKey of 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol?
The InChIKey is BBQSGUJDLRKCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2O/c1-2-3-4-17-5-7-18(8-6-17)19-9-12-22(24(27)16-19)20-10-13-23-21(15-20)11-14-25(29)26(23)28/h9-18,29H,2-8H2,1H3.
What are the key properties of 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol?
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol has a molecular weight of 394.51 g/mol, XLogP of 7.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol is sourced from PubChem (CID 139850003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).