6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene

C21H27F — CID 139864046

IUPAC6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
SMILESCCCc1ccc2cc(C3CCC(CC)CC3)ccc2c1F
InChIInChI=1S/C21H27F/c1-3-5-17-10-11-19-14-18(12-13-20(19)21(17)22)16-8-6-15(4-2)7-9-16/h10-16H,3-9H2,1-2H3
InChIKeyJXPISJQZULYMTQ-UHFFFAOYSA-N
MW298.45 g/mol
LogP6.62
Rot. Bonds4

About 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene

6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene (PubChem CID 139864046) has the molecular formula C21H27F and a molecular weight of 298.45 g/mol. Its IUPAC name is 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene.

Molecular Properties

Compound Name6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
PubChem CID139864046
Molecular FormulaC21H27F
Molecular Weight298.45 g/mol
Exact Mass298.21
IUPAC Name6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
SMILESCCCc1ccc2cc(C3CCC(CC)CC3)ccc2c1F
InChIInChI=1S/C21H27F/c1-3-5-17-10-11-19-14-18(12-13-20(19)21(17)22)16-8-6-15(4-2)7-9-16/h10-16H,3-9H2,1-2H3
InChIKeyJXPISJQZULYMTQ-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139877146
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139861214
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139862117
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene
CID 139861695
6-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
CID 20807793
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-[2-[4-(4-ethenylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876307
2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139871120

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene?
The IUPAC name of 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene (CID 139864046) is 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene.
What is the SMILES notation for 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene?
The canonical SMILES for 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene is CCCc1ccc2cc(C3CCC(CC)CC3)ccc2c1F.
What is the InChIKey of 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene?
The InChIKey is JXPISJQZULYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F/c1-3-5-17-10-11-19-14-18(12-13-20(19)21(17)22)16-8-6-15(4-2)7-9-16/h10-16H,3-9H2,1-2H3.
What are the key properties of 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene?
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene has a molecular weight of 298.45 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene is sourced from PubChem (CID 139864046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).