2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene

C24H29F3O — CID 139861808

IUPAC2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene
SMILESC=CCCC1CCC(C(F)(F)Oc2cc3ccc(CCC)cc3cc2F)CC1
InChIInChI=1S/C24H29F3O/c1-3-5-7-17-9-12-21(13-10-17)24(26,27)28-23-16-19-11-8-18(6-4-2)14-20(19)15-22(23)25/h3,8,11,14-17,21H,1,4-7,9-10,12-13H2,2H3
InChIKeySVJBKYMCLPOMSF-UHFFFAOYSA-N
MW390.49 g/mol
LogP7.68
Rot. Bonds8

About 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene

2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene (PubChem CID 139861808) has the molecular formula C24H29F3O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene.

Molecular Properties

Compound Name2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene
PubChem CID139861808
Molecular FormulaC24H29F3O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene
SMILESC=CCCC1CCC(C(F)(F)Oc2cc3ccc(CCC)cc3cc2F)CC1
InChIInChI=1S/C24H29F3O/c1-3-5-7-17-9-12-21(13-10-17)24(26,27)28-23-16-19-11-8-18(6-4-2)14-20(19)15-22(23)25/h3,8,11,14-17,21H,1,4-7,9-10,12-13H2,2H3
InChIKeySVJBKYMCLPOMSF-UHFFFAOYSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-pentylnaphthalene
CID 139860839
2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-[(E)-prop-1-enyl]naphthalene
CID 139862155
2-[(4-but-3-enylphenyl)-difluoromethoxy]-6-ethyl-3-fluoronaphthalene
CID 139863204
2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene
CID 139861032
3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluoro-7-propylnaphthalene
CID 139863228
2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-propylnaphthalene
CID 139863155
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728
6-[2-(4-but-3-enylcyclohexyl)ethyl]-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]naphthalene
CID 139851065
6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene
CID 139860541
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene
CID 90180207
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene?
The IUPAC name of 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene (CID 139861808) is 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene.
What is the SMILES notation for 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene?
The canonical SMILES for 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene is C=CCCC1CCC(C(F)(F)Oc2cc3ccc(CCC)cc3cc2F)CC1.
What is the InChIKey of 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene?
The InChIKey is SVJBKYMCLPOMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3O/c1-3-5-7-17-9-12-21(13-10-17)24(26,27)28-23-16-19-11-8-18(6-4-2)14-20(19)15-22(23)25/h3,8,11,14-17,21H,1,4-7,9-10,12-13H2,2H3.
What are the key properties of 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene?
2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene has a molecular weight of 390.49 g/mol, XLogP of 7.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene is sourced from PubChem (CID 139861808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).