3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene

C21H25F3 — CID 139861965

IUPAC3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene
SMILESCCCc1ccc2cc(C3CCC(CC)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C21H25F3/c1-3-5-15-10-11-16-12-17(14-8-6-13(4-2)7-9-14)20(23)21(24)18(16)19(15)22/h10-14H,3-9H2,1-2H3
InChIKeyBUHFMRQBJYEJAL-UHFFFAOYSA-N
MW334.43 g/mol
LogP6.89
Rot. Bonds4

About 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene

3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene (PubChem CID 139861965) has the molecular formula C21H25F3 and a molecular weight of 334.43 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene
PubChem CID139861965
Molecular FormulaC21H25F3
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene
SMILESCCCc1ccc2cc(C3CCC(CC)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C21H25F3/c1-3-5-15-10-11-16-12-17(14-8-6-13(4-2)7-9-14)20(23)21(24)18(16)19(15)22/h10-14H,3-9H2,1-2H3
InChIKeyBUHFMRQBJYEJAL-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.43
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139862117
3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861492
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
3-[(2R,4aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-but-3-enyl-1,2,8-trifluoronaphthalene
CID 20807500
1,2,8-trifluoro-7-[(E)-pent-3-enyl]-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383605
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
1,2,8-trifluoro-3-[4-(4-pentylcyclohexyl)phenyl]-7-propylnaphthalene
CID 139860768
6-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139877146
7-ethyl-3-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluoronaphthalene
CID 139863954
2-[3,4,5-trifluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]oxirane
CID 89069191

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene?
The IUPAC name of 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene (CID 139861965) is 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene?
The canonical SMILES for 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene is CCCc1ccc2cc(C3CCC(CC)CC3)c(F)c(F)c2c1F.
What is the InChIKey of 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene?
The InChIKey is BUHFMRQBJYEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3/c1-3-5-15-10-11-16-12-17(14-8-6-13(4-2)7-9-14)20(23)21(24)18(16)19(15)22/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene?
3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene has a molecular weight of 334.43 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene is sourced from PubChem (CID 139861965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).