6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene

C23H27F3O — CID 139860541

IUPAC6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene
SMILESC/C=C/C1CCC(C(F)(F)Oc2ccc3cc(CCC)c(F)cc3c2)CC1
InChIInChI=1S/C23H27F3O/c1-3-5-16-7-10-20(11-8-16)23(25,26)27-21-12-9-17-13-18(6-4-2)22(24)15-19(17)14-21/h3,5,9,12-16,20H,4,6-8,10-11H2,1-2H3/b5-3+
InChIKeyWUSJCFFKBJRTDL-HWKANZROSA-N
MW376.46 g/mol
LogP7.29
Rot. Bonds6

About 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene

6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene (PubChem CID 139860541) has the molecular formula C23H27F3O and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene.

Molecular Properties

Compound Name6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene
PubChem CID139860541
Molecular FormulaC23H27F3O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene
SMILESC/C=C/C1CCC(C(F)(F)Oc2ccc3cc(CCC)c(F)cc3c2)CC1
InChIInChI=1S/C23H27F3O/c1-3-5-16-7-10-20(11-8-16)23(25,26)27-21-12-9-17-13-18(6-4-2)22(24)15-19(17)14-21/h3,5,9,12-16,20H,4,6-8,10-11H2,1-2H3/b5-3+
InChIKeyWUSJCFFKBJRTDL-HWKANZROSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 57.29
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

5-[difluoro-[4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 122502027
5-[difluoro-(4-prop-1-enylcyclohexyl)methoxy]-1,3-difluoro-2-[4-(1,2,2-trifluoroethenoxy)phenyl]benzene
CID 123641656
1-[difluoro-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]methoxy]-4-fluorobenzene
CID 122502006
4-[difluoro-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]methoxy]-1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluorobenzene
CID 122502306
2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-propylnaphthalene
CID 139861808
2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-[(E)-prop-1-enyl]naphthalene
CID 139862155
5-[difluoro-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222349
7-fluoro-6-propylnaphthalen-2-ol
CID 139970727
1-[4-[(E)-2-[4-[difluoro-(4-fluorophenoxy)methyl]cyclohexyl]ethenyl]cyclohexyl]-4-ethylbenzene
CID 122502038
2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-pentylnaphthalene
CID 139860839
4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 122503805
4-[difluoro-[4-[(E)-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 122502215

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene?
The IUPAC name of 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene (CID 139860541) is 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene.
What is the SMILES notation for 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene?
The canonical SMILES for 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene is C/C=C/C1CCC(C(F)(F)Oc2ccc3cc(CCC)c(F)cc3c2)CC1.
What is the InChIKey of 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene?
The InChIKey is WUSJCFFKBJRTDL-HWKANZROSA-N. The full InChI is InChI=1S/C23H27F3O/c1-3-5-16-7-10-20(11-8-16)23(25,26)27-21-12-9-17-13-18(6-4-2)22(24)15-19(17)14-21/h3,5,9,12-16,20H,4,6-8,10-11H2,1-2H3/b5-3+.
What are the key properties of 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene?
6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene has a molecular weight of 376.46 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-3-fluoro-2-propylnaphthalene is sourced from PubChem (CID 139860541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).