3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene

C22H25F3O — CID 139862461

IUPAC3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene
SMILESC=Cc1ccc2c(F)c(C3CCC(CCC)CC3)c(OC(F)F)cc2c1
InChIInChI=1S/C22H25F3O/c1-3-5-15-6-9-16(10-7-15)20-19(26-22(24)25)13-17-12-14(4-2)8-11-18(17)21(20)23/h4,8,11-13,15-16,22H,2-3,5-7,9-10H2,1H3
InChIKeyNDMCSXVKDBZMCF-UHFFFAOYSA-N
MW362.44 g/mol
LogP7.30
Rot. Bonds6

About 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene

3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene (PubChem CID 139862461) has the molecular formula C22H25F3O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene
PubChem CID139862461
Molecular FormulaC22H25F3O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene
SMILESC=Cc1ccc2c(F)c(C3CCC(CCC)CC3)c(OC(F)F)cc2c1
InChIInChI=1S/C22H25F3O/c1-3-5-15-6-9-16(10-7-15)20-19(26-22(24)25)13-17-12-14(4-2)8-11-18(17)21(20)23/h4,8,11-13,15-16,22H,2-3,5-7,9-10H2,1H3
InChIKeyNDMCSXVKDBZMCF-UHFFFAOYSA-N
XLogP7.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene
CID 139863745
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139861063
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)naphthalene
CID 139863906
3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene
CID 139863604
3-(difluoromethoxy)-2-(4-ethylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139860913
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 58839716
1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
CID 139862287
6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861325
6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene
CID 20808220
4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947205
7-(difluoromethoxy)-1,6-difluoro-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22384430

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene?
The IUPAC name of 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene (CID 139862461) is 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene.
What is the SMILES notation for 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene?
The canonical SMILES for 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene is C=Cc1ccc2c(F)c(C3CCC(CCC)CC3)c(OC(F)F)cc2c1.
What is the InChIKey of 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene?
The InChIKey is NDMCSXVKDBZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O/c1-3-5-15-6-9-16(10-7-15)20-19(26-22(24)25)13-17-12-14(4-2)8-11-18(17)21(20)23/h4,8,11-13,15-16,22H,2-3,5-7,9-10H2,1H3.
What are the key properties of 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene?
3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene has a molecular weight of 362.44 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene is sourced from PubChem (CID 139862461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).