4,5-difluoro-7-methyl-6,7-dihydroquinoline

C10H9F2N — CID 147742277

IUPAC4,5-difluoro-7-methyl-6,7-dihydroquinoline
SMILESCC1C=c2nccc(F)c2=C(F)C1
InChIInChI=1S/C10H9F2N/c1-6-4-8(12)10-7(11)2-3-13-9(10)5-6/h2-3,5-6H,4H2,1H3
InChIKeyHAOKJOMHROQNCK-UHFFFAOYSA-N
MW181.18 g/mol
LogP1.12
Rot. Bonds

About 4,5-difluoro-7-methyl-6,7-dihydroquinoline

4,5-difluoro-7-methyl-6,7-dihydroquinoline (PubChem CID 147742277) has the molecular formula C10H9F2N and a molecular weight of 181.18 g/mol. Its IUPAC name is 4,5-difluoro-7-methyl-6,7-dihydroquinoline.

Molecular Properties

Compound Name4,5-difluoro-7-methyl-6,7-dihydroquinoline
PubChem CID147742277
Molecular FormulaC10H9F2N
Molecular Weight181.18 g/mol
Exact Mass181.07
IUPAC Name4,5-difluoro-7-methyl-6,7-dihydroquinoline
SMILESCC1C=c2nccc(F)c2=C(F)C1
InChIInChI=1S/C10H9F2N/c1-6-4-8(12)10-7(11)2-3-13-9(10)5-6/h2-3,5-6H,4H2,1H3
InChIKeyHAOKJOMHROQNCK-UHFFFAOYSA-N
XLogP1.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-Dimethylquinoline
CID 129752244
7-Fluoro-6-propan-2-yl-6,7-dihydroquinoline
CID 89318114
7-(Trifluoromethyl)-6,7-dihydroquinoline
CID 123382262
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
7,7-difluoro-6H-quinoline
CID 152283186
7-Methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline
CID 163504800
7-Fluoro-8-(fluoromethyl)-4a,5-dihydroquinoline
CID 164006747
8-Fluoro-4-propan-2-yl-6,7-dihydroquinoline
CID 168883126
(7R)-7-methyl-6,7-dihydroquinoline
CID 89356030
5,6-Dimethyl-6,7-dihydroquinoline
CID 89495195
4,7-Dimethyl-6,7-dihydroquinoline
CID 89495207
7,8-Dimethyl-6,7-dihydroquinoline
CID 89495225

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-7-methyl-6,7-dihydroquinoline?
The IUPAC name of 4,5-difluoro-7-methyl-6,7-dihydroquinoline (CID 147742277) is 4,5-difluoro-7-methyl-6,7-dihydroquinoline.
What is the SMILES notation for 4,5-difluoro-7-methyl-6,7-dihydroquinoline?
The canonical SMILES for 4,5-difluoro-7-methyl-6,7-dihydroquinoline is CC1C=c2nccc(F)c2=C(F)C1.
What is the InChIKey of 4,5-difluoro-7-methyl-6,7-dihydroquinoline?
The InChIKey is HAOKJOMHROQNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N/c1-6-4-8(12)10-7(11)2-3-13-9(10)5-6/h2-3,5-6H,4H2,1H3.
What are the key properties of 4,5-difluoro-7-methyl-6,7-dihydroquinoline?
4,5-difluoro-7-methyl-6,7-dihydroquinoline has a molecular weight of 181.18 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-7-methyl-6,7-dihydroquinoline is sourced from PubChem (CID 147742277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).