1-(difluoromethyl)-3-phenylisoquinoline

C16H11F2N — CID 158150441

IUPAC1-(difluoromethyl)-3-phenylisoquinoline
SMILESFC(F)c1nc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C16H11F2N/c17-16(18)15-13-9-5-4-8-12(13)10-14(19-15)11-6-2-1-3-7-11/h1-10,16H
InChIKeyXPCZDVOLAJGQPG-UHFFFAOYSA-N
MW255.27 g/mol
LogP4.84
Rot. Bonds2

About 1-(difluoromethyl)-3-phenylisoquinoline

1-(difluoromethyl)-3-phenylisoquinoline (PubChem CID 158150441) has the molecular formula C16H11F2N and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-phenylisoquinoline.

Molecular Properties

Compound Name1-(difluoromethyl)-3-phenylisoquinoline
PubChem CID158150441
Molecular FormulaC16H11F2N
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-(difluoromethyl)-3-phenylisoquinoline
SMILESFC(F)c1nc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C16H11F2N/c17-16(18)15-13-9-5-4-8-12(13)10-14(19-15)11-6-2-1-3-7-11/h1-10,16H
InChIKeyXPCZDVOLAJGQPG-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(difluoromethyl)isoquinoline
CID 68584228
1-methyl-3-phenylisoquinoline
CID 10376139
3-phenyl-1-[(3-phenylisoquinolin-1-yl)methyl]isoquinoline
CID 170983853
3-phenylisoquinoline-1-carboxylic acid
CID 13336383
1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
oxo-bis[(3-phenylisoquinolin-1-yl)oxy]phosphanium
CID 174924369
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
1-(difluoromethyl)-3-iodonaphthalene
CID 118847241
4-(18F)fluoro-2-phenylquinoline
CID 155642613
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline
CID 126579046
3-(2,2-difluoroethyl)-1-phenylisoquinoline
CID 58852769

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-phenylisoquinoline?
The IUPAC name of 1-(difluoromethyl)-3-phenylisoquinoline (CID 158150441) is 1-(difluoromethyl)-3-phenylisoquinoline.
What is the SMILES notation for 1-(difluoromethyl)-3-phenylisoquinoline?
The canonical SMILES for 1-(difluoromethyl)-3-phenylisoquinoline is FC(F)c1nc(-c2ccccc2)cc2ccccc12.
What is the InChIKey of 1-(difluoromethyl)-3-phenylisoquinoline?
The InChIKey is XPCZDVOLAJGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N/c17-16(18)15-13-9-5-4-8-12(13)10-14(19-15)11-6-2-1-3-7-11/h1-10,16H.
What are the key properties of 1-(difluoromethyl)-3-phenylisoquinoline?
1-(difluoromethyl)-3-phenylisoquinoline has a molecular weight of 255.27 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-phenylisoquinoline is sourced from PubChem (CID 158150441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).