3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene

C25H33F3O — CID 139863604

IUPAC3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene
SMILESCCCCCC1CCC(c2c(OC(F)F)cc3cc(CCC)ccc3c2F)CC1
InChIInChI=1S/C25H33F3O/c1-3-5-6-8-17-9-12-19(13-10-17)23-22(29-25(27)28)16-20-15-18(7-4-2)11-14-21(20)24(23)26/h11,14-17,19,25H,3-10,12-13H2,1-2H3
InChIKeyUGQDHWNNLSPKCC-UHFFFAOYSA-N
MW406.53 g/mol
LogP8.39
Rot. Bonds9

About 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene

3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene (PubChem CID 139863604) has the molecular formula C25H33F3O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene
PubChem CID139863604
Molecular FormulaC25H33F3O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene
SMILESCCCCCC1CCC(c2c(OC(F)F)cc3cc(CCC)ccc3c2F)CC1
InChIInChI=1S/C25H33F3O/c1-3-5-6-8-17-9-12-19(13-10-17)23-22(29-25(27)28)16-20-15-18(7-4-2)11-14-21(20)24(23)26/h11,14-17,19,25H,3-10,12-13H2,1-2H3
InChIKeyUGQDHWNNLSPKCC-UHFFFAOYSA-N
XLogP8.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)naphthalene
CID 139863906
3-(difluoromethoxy)-2-(4-ethylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139860913
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139861063
3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139862461
1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863128
6-[(6R,8aR)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1-fluoronaphthalene
CID 20808319
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936
6-[2-(4-butylcyclohexyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethynyl]-1-fluoronaphthalene
CID 139851027
2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene
CID 139855726
3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene
CID 139863745
1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
CID 139862174
3-(difluoromethoxy)-2-(4-ethoxyphenyl)-1-fluoro-6-pentylnaphthalene
CID 139862639

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene?
The IUPAC name of 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene (CID 139863604) is 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene.
What is the SMILES notation for 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene?
The canonical SMILES for 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene is CCCCCC1CCC(c2c(OC(F)F)cc3cc(CCC)ccc3c2F)CC1.
What is the InChIKey of 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene?
The InChIKey is UGQDHWNNLSPKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3O/c1-3-5-6-8-17-9-12-19(13-10-17)23-22(29-25(27)28)16-20-15-18(7-4-2)11-14-21(20)24(23)26/h11,14-17,19,25H,3-10,12-13H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene?
3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene has a molecular weight of 406.53 g/mol, XLogP of 8.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene is sourced from PubChem (CID 139863604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).