2-(difluoromethyl)-4-naphthalen-1-ylquinoline

C20H13F2N — CID 164677795

IUPAC2-(difluoromethyl)-4-naphthalen-1-ylquinoline
SMILESFC(F)c1cc(-c2cccc3ccccc23)c2ccccc2n1
InChIInChI=1S/C20H13F2N/c21-20(22)19-12-17(16-9-3-4-11-18(16)23-19)15-10-5-7-13-6-1-2-8-14(13)15/h1-12,20H
InChIKeyUWGXLHUIAWEYID-UHFFFAOYSA-N
MW305.33 g/mol
LogP5.99
Rot. Bonds2

About 2-(difluoromethyl)-4-naphthalen-1-ylquinoline

2-(difluoromethyl)-4-naphthalen-1-ylquinoline (PubChem CID 164677795) has the molecular formula C20H13F2N and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-naphthalen-1-ylquinoline.

Molecular Properties

Compound Name2-(difluoromethyl)-4-naphthalen-1-ylquinoline
PubChem CID164677795
Molecular FormulaC20H13F2N
Molecular Weight305.33 g/mol
Exact Mass305.10
IUPAC Name2-(difluoromethyl)-4-naphthalen-1-ylquinoline
SMILESFC(F)c1cc(-c2cccc3ccccc23)c2ccccc2n1
InChIInChI=1S/C20H13F2N/c21-20(22)19-12-17(16-9-3-4-11-18(16)23-19)15-10-5-7-13-6-1-2-8-14(13)15/h1-12,20H
InChIKeyUWGXLHUIAWEYID-UHFFFAOYSA-N
XLogP5.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.33
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-bis(difluoromethyl)quinoline
CID 68583804
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
fluoroform;1-(2-phenylphenyl)naphthalene;sulfane
CID 162622934
2-(difluoromethyl)quinolin-5-ol
CID 137083349
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
9-naphthalen-1-ylphenanthrene
CID 20606742
2-(difluoromethyl)-6-methyl-4-phenylquinoline
CID 164677049
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-naphthalen-1-ylquinoline?
The IUPAC name of 2-(difluoromethyl)-4-naphthalen-1-ylquinoline (CID 164677795) is 2-(difluoromethyl)-4-naphthalen-1-ylquinoline.
What is the SMILES notation for 2-(difluoromethyl)-4-naphthalen-1-ylquinoline?
The canonical SMILES for 2-(difluoromethyl)-4-naphthalen-1-ylquinoline is FC(F)c1cc(-c2cccc3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-(difluoromethyl)-4-naphthalen-1-ylquinoline?
The InChIKey is UWGXLHUIAWEYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N/c21-20(22)19-12-17(16-9-3-4-11-18(16)23-19)15-10-5-7-13-6-1-2-8-14(13)15/h1-12,20H.
What are the key properties of 2-(difluoromethyl)-4-naphthalen-1-ylquinoline?
2-(difluoromethyl)-4-naphthalen-1-ylquinoline has a molecular weight of 305.33 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-naphthalen-1-ylquinoline is sourced from PubChem (CID 164677795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).