4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline

C10H11F2N — CID 84718702

IUPAC4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline
SMILESCC1(F)CCNc2cccc(F)c21
InChIInChI=1S/C10H11F2N/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,13H,5-6H2,1H3
InChIKeyRBKAYOASMQGDNV-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.83
Rot. Bonds

About 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline

4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline (PubChem CID 84718702) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline
PubChem CID84718702
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline
SMILESCC1(F)CCNc2cccc(F)c21
InChIInChI=1S/C10H11F2N/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,13H,5-6H2,1H3
InChIKeyRBKAYOASMQGDNV-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508
4-fluoro-4,8-dimethyl-2,3-dihydro-1H-quinoline
CID 84718184
3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine
CID 62354191
4,4-dimethyl-1,2,3,5-tetrahydro-1-benzazepine;ethane
CID 142006260
2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine
CID 169244302
4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol
CID 84721057
4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
CID 84723504
6-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290409
4-fluoro-2,2-dimethyl-1,3-dihydroindole
CID 84717067
ethane;3-fluoro-3-methylpyrrolidin-2-one
CID 164536225
9-fluoro-2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82229787
6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
CID 115554350

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline (CID 84718702) is 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline is CC1(F)CCNc2cccc(F)c21.
What is the InChIKey of 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline?
The InChIKey is RBKAYOASMQGDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-10(12)5-6-13-8-4-2-3-7(11)9(8)10/h2-4,13H,5-6H2,1H3.
What are the key properties of 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline?
4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline has a molecular weight of 183.20 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 84718702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).