ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol

C19H23F3O — CID 143998609

IUPACethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol
SMILESCC.CC1CCC(c2cc3ccc(O)c(F)c3c(F)c2F)CC1
InChIInChI=1S/C17H17F3O.C2H6/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(21)16(19)14(11)17(20)15(12)18;1-2/h6-10,21H,2-5H2,1H3;1-2H3
InChIKeyIJMRTBYQGFLCNX-UHFFFAOYSA-N
MW324.39 g/mol
LogP6.28
Rot. Bonds1

About ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol

ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol (PubChem CID 143998609) has the molecular formula C19H23F3O and a molecular weight of 324.39 g/mol. Its IUPAC name is ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol.

Molecular Properties

Compound Nameethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol
PubChem CID143998609
Molecular FormulaC19H23F3O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Nameethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol
SMILESCC.CC1CCC(c2cc3ccc(O)c(F)c3c(F)c2F)CC1
InChIInChI=1S/C17H17F3O.C2H6/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(21)16(19)14(11)17(20)15(12)18;1-2/h6-10,21H,2-5H2,1H3;1-2H3
InChIKeyIJMRTBYQGFLCNX-UHFFFAOYSA-N
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene
CID 139861965
3,4,5,6-tetrafluoro-2-(4-iodocyclohexyl)phenanthrene
CID 89165490
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
CID 159036951
2,3-diamino-4-(4-methylcyclohexyl)phenol
CID 158163153
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
2-[3,4,5-trifluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]oxirane
CID 89069191
4-cyclohexyl-2,3-difluorophenol
CID 134218235
6-[4-(4-ethylcyclohexyl)cyclohexyl]-1,8-difluoronaphthalen-2-ol
CID 139850031
4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
CID 143909524
2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol
CID 176902879

Frequently Asked Questions

What is the IUPAC name of ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol?
The IUPAC name of ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol (CID 143998609) is ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol.
What is the SMILES notation for ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol?
The canonical SMILES for ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol is CC.CC1CCC(c2cc3ccc(O)c(F)c3c(F)c2F)CC1.
What is the InChIKey of ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol?
The InChIKey is IJMRTBYQGFLCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O.C2H6/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(21)16(19)14(11)17(20)15(12)18;1-2/h6-10,21H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol?
ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol has a molecular weight of 324.39 g/mol, XLogP of 6.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol is sourced from PubChem (CID 143998609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).