1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene

C21H17F5O — CID 139855391

IUPAC1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESCCCc1ccc(-c2ccc3c(F)c(OCC(F)(F)F)c(F)cc3c2)cc1
InChIInChI=1S/C21H17F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(22)20(19(17)23)27-12-21(24,25)26/h4-11H,2-3,12H2,1H3
InChIKeyNHEYXTYQRVLJGV-UHFFFAOYSA-N
MW380.36 g/mol
LogP6.68
Rot. Bonds5

About 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene

1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 139855391) has the molecular formula C21H17F5O and a molecular weight of 380.36 g/mol. Its IUPAC name is 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID139855391
Molecular FormulaC21H17F5O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESCCCc1ccc(-c2ccc3c(F)c(OCC(F)(F)F)c(F)cc3c2)cc1
InChIInChI=1S/C21H17F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(22)20(19(17)23)27-12-21(24,25)26/h4-11H,2-3,12H2,1H3
InChIKeyNHEYXTYQRVLJGV-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.36
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,8-trifluoro-6-(4-heptylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855963
1,3-difluoro-6-(4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139855742
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139873466
1-fluoro-6-(4-heptylphenyl)-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874489
6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]phenyl]-1,2,3-trifluoronaphthalene
CID 134554711
6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855660
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855641
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylphenyl)naphthalene
CID 139873971
1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855248
1-fluoro-6-[2-(4-propylphenyl)ethyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872367
[5,7-difluoro-6-(2,2,2-trifluoroethoxy)naphthalen-2-yl] 4-but-3-enylbenzoate
CID 139856179
2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyridine
CID 139873534

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene (CID 139855391) is 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene is CCCc1ccc(-c2ccc3c(F)c(OCC(F)(F)F)c(F)cc3c2)cc1.
What is the InChIKey of 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is NHEYXTYQRVLJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(22)20(19(17)23)27-12-21(24,25)26/h4-11H,2-3,12H2,1H3.
What are the key properties of 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 380.36 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-6-(4-propylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 139855391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).