1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

C27H22F4O — CID 139873011

IUPAC1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESCOCc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1
InChIInChI=1S/C27H22F4O/c1-32-17-19-3-7-20(8-4-19)22-12-15-25-23(16-22)11-10-21(26(25)28)9-2-18-5-13-24(14-6-18)27(29,30)31/h3-8,10-16H,2,9,17H2,1H3
InChIKeyUQBFJGUPCWKTEW-UHFFFAOYSA-N
MW438.46 g/mol
LogP7.60
Rot. Bonds6

About 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (PubChem CID 139873011) has the molecular formula C27H22F4O and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
PubChem CID139873011
Molecular FormulaC27H22F4O
Molecular Weight438.46 g/mol
Exact Mass438.16
IUPAC Name1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESCOCc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1
InChIInChI=1S/C27H22F4O/c1-32-17-19-3-7-20(8-4-19)22-12-15-25-23(16-22)11-10-21(26(25)28)9-2-18-5-13-24(14-6-18)27(29,30)31/h3-8,10-16H,2,9,17H2,1H3
InChIKeyUQBFJGUPCWKTEW-UHFFFAOYSA-N
XLogP7.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139871177
6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875416
1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139873693
2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine
CID 139873614
1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874209
2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872707
2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
CID 139875640
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylphenyl)naphthalene
CID 139873971
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
CID 139874733
6-(4-but-3-enylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139873017
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875278
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
CID 139874222

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (CID 139873011) is 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is COCc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1.
What is the InChIKey of 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The InChIKey is UQBFJGUPCWKTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4O/c1-32-17-19-3-7-20(8-4-19)22-12-15-25-23(16-22)11-10-21(26(25)28)9-2-18-5-13-24(14-6-18)27(29,30)31/h3-8,10-16H,2,9,17H2,1H3.
What are the key properties of 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene has a molecular weight of 438.46 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139873011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).