2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine

C28H24F6N2 — CID 139873515

IUPAC2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine
SMILESCCCc1cnc(CCc2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C28H24F6N2/c1-2-3-19-15-35-25(36-16-19)11-6-17-5-10-22-21(12-17)9-8-20(27(22)31)7-4-18-13-23(29)26(24(30)14-18)28(32,33)34/h5,8-10,12-16H,2-4,6-7,11H2,1H3
InChIKeyYHOZMSNXDUILJA-UHFFFAOYSA-N
MW502.50 g/mol
LogP7.59
Rot. Bonds8

About 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine

2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine (PubChem CID 139873515) has the molecular formula C28H24F6N2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine
PubChem CID139873515
Molecular FormulaC28H24F6N2
Molecular Weight502.50 g/mol
Exact Mass502.18
IUPAC Name2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine
SMILESCCCc1cnc(CCc2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C28H24F6N2/c1-2-3-19-15-35-25(36-16-19)11-6-17-5-10-22-21(12-17)9-8-20(27(22)31)7-4-18-13-23(29)26(24(30)14-18)28(32,33)34/h5,8-10,12-16H,2-4,6-7,11H2,1H3
InChIKeyYHOZMSNXDUILJA-UHFFFAOYSA-N
XLogP7.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872661
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
2-[2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-hexylpyrimidine
CID 139874758
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyridine
CID 139872473
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyrimidine
CID 139875515
6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyrimidine
CID 139873484
5-butoxy-2-[2-[5-fluoro-6-[2-(3,4,5-trifluorophenyl)ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139872835
2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentoxypyrimidine
CID 139874910
5-but-3-enyl-2-[2-[5-fluoro-6-[2-(3,4,5-trifluorophenyl)ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139874315
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139850766
5-butoxy-2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]pyrimidine
CID 139874599

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine?
The IUPAC name of 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine (CID 139873515) is 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine?
The canonical SMILES for 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine is CCCc1cnc(CCc2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine?
The InChIKey is YHOZMSNXDUILJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F6N2/c1-2-3-19-15-35-25(36-16-19)11-6-17-5-10-22-21(12-17)9-8-20(27(22)31)7-4-18-13-23(29)26(24(30)14-18)28(32,33)34/h5,8-10,12-16H,2-4,6-7,11H2,1H3.
What are the key properties of 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine?
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine has a molecular weight of 502.50 g/mol, XLogP of 7.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine is sourced from PubChem (CID 139873515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).