2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene

C22H20F4O — CID 139855555

IUPAC2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
SMILESCCCc1ccc(CCc2ccc3c(F)c(OC(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C22H20F4O/c1-2-3-14-4-7-16(19(23)13-14)8-5-15-6-10-18-17(12-15)9-11-20(21(18)24)27-22(25)26/h4,6-7,9-13,22H,2-3,5,8H2,1H3
InChIKeyRXEPKVRFNUHJRX-UHFFFAOYSA-N
MW376.39 g/mol
LogP6.46
Rot. Bonds7

About 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene

2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene (PubChem CID 139855555) has the molecular formula C22H20F4O and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
PubChem CID139855555
Molecular FormulaC22H20F4O
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC Name2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
SMILESCCCc1ccc(CCc2ccc3c(F)c(OC(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C22H20F4O/c1-2-3-14-4-7-16(19(23)13-14)8-5-15-6-10-18-17(12-15)9-11-20(21(18)24)27-22(25)26/h4,6-7,9-13,22H,2-3,5,8H2,1H3
InChIKeyRXEPKVRFNUHJRX-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139873908
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872431
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]naphthalene
CID 139874649
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethyl]naphthalene
CID 139875231
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexoxyphenyl)ethyl]naphthalene
CID 139871004
6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
CID 139872902
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethyl]naphthalene
CID 139872621
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
CID 139871216
6-[2-(4-butoxyphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoronaphthalene
CID 139873719
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(3-methoxypropyl)phenyl]ethyl]naphthalene
CID 139870781
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139855624

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene?
The IUPAC name of 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene (CID 139855555) is 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene?
The canonical SMILES for 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene is CCCc1ccc(CCc2ccc3c(F)c(OC(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene?
The InChIKey is RXEPKVRFNUHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4O/c1-2-3-14-4-7-16(19(23)13-14)8-5-15-6-10-18-17(12-15)9-11-20(21(18)24)27-22(25)26/h4,6-7,9-13,22H,2-3,5,8H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene?
2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene has a molecular weight of 376.39 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene is sourced from PubChem (CID 139855555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).