3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene

C22H19F3O — CID 139860896

IUPAC3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1ccc2c(F)c(-c3ccc(CC)cc3)c(OC(F)F)cc2c1
InChIInChI=1S/C22H19F3O/c1-3-5-15-8-11-18-17(12-15)13-19(26-22(24)25)20(21(18)23)16-9-6-14(4-2)7-10-16/h3,5-13,22H,4H2,1-2H3/b5-3+
InChIKeyFTMNACSZLVYCIW-HWKANZROSA-N
MW356.39 g/mol
LogP6.84
Rot. Bonds5

About 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene

3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene (PubChem CID 139860896) has the molecular formula C22H19F3O and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene
PubChem CID139860896
Molecular FormulaC22H19F3O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1ccc2c(F)c(-c3ccc(CC)cc3)c(OC(F)F)cc2c1
InChIInChI=1S/C22H19F3O/c1-3-5-15-8-11-18-17(12-15)13-19(26-22(24)25)20(21(18)23)16-9-6-14(4-2)7-10-16/h3,5-13,22H,4H2,1-2H3/b5-3+
InChIKeyFTMNACSZLVYCIW-HWKANZROSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.39
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
CID 139861326
3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene
CID 139862827
3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
CID 139863838
6-but-2-enoxy-3-(difluoromethoxy)-1-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139863150
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
CID 139863755
2-but-2-enoxy-3-(difluoromethoxy)-6-(4-ethylphenyl)-1-fluoronaphthalene
CID 139861606
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-methoxynaphthalene
CID 139863466
3-(difluoromethoxy)-2-(4-ethoxyphenyl)-1-fluoro-6-pentylnaphthalene
CID 139862639
2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139860531
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
CID 139861394
N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
CID 54572346

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene?
The IUPAC name of 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene (CID 139860896) is 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene.
What is the SMILES notation for 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene?
The canonical SMILES for 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene is C/C=C/c1ccc2c(F)c(-c3ccc(CC)cc3)c(OC(F)F)cc2c1.
What is the InChIKey of 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene?
The InChIKey is FTMNACSZLVYCIW-HWKANZROSA-N. The full InChI is InChI=1S/C22H19F3O/c1-3-5-15-8-11-18-17(12-15)13-19(26-22(24)25)20(21(18)23)16-9-6-14(4-2)7-10-16/h3,5-13,22H,4H2,1-2H3/b5-3+.
What are the key properties of 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene?
3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene has a molecular weight of 356.39 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 139860896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).