8-fluoro-4-propan-2-yl-6,7-dihydroquinoline

C12H14FN — CID 168883126

IUPAC8-fluoro-4-propan-2-yl-6,7-dihydroquinoline
SMILESCC(C)c1ccnc2c1=CCCC=2F
InChIInChI=1S/C12H14FN/c1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13/h4,6-8H,3,5H2,1-2H3
InChIKeyCVVWDGBQPKQVKA-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.86
Rot. Bonds1

About 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline

8-fluoro-4-propan-2-yl-6,7-dihydroquinoline (PubChem CID 168883126) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline.

Molecular Properties

Compound Name8-fluoro-4-propan-2-yl-6,7-dihydroquinoline
PubChem CID168883126
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name8-fluoro-4-propan-2-yl-6,7-dihydroquinoline
SMILESCC(C)c1ccnc2c1=CCCC=2F
InChIInChI=1S/C12H14FN/c1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13/h4,6-8H,3,5H2,1-2H3
InChIKeyCVVWDGBQPKQVKA-UHFFFAOYSA-N
XLogP1.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Fluoro-6-propan-2-yl-6,7-dihydroquinoline
CID 89318114
8-Fluoro-4-propyl-6,7-dihydroquinoline
CID 123389573
2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
CID 135127173
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
4,5-Difluoro-7-methyl-6,7-dihydroquinoline
CID 147742277
7-Fluoro-8-(fluoromethyl)-4a,5-dihydroquinoline
CID 164006747
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
8-Methyl-6,7-dihydroquinoline
CID 66607842
(5R)-5,8-dimethyl-4a,5-dihydroquinoline
CID 68330516
8-Propan-2-yl-6,7-dihydroquinoline
CID 89144428
(7R)-7-methyl-6,7-dihydroquinoline
CID 89356030
8-Methyl-8,8a-dihydroquinoline
CID 89371528

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline?
The IUPAC name of 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline (CID 168883126) is 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline.
What is the SMILES notation for 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline?
The canonical SMILES for 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline is CC(C)c1ccnc2c1=CCCC=2F.
What is the InChIKey of 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline?
The InChIKey is CVVWDGBQPKQVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline?
8-fluoro-4-propan-2-yl-6,7-dihydroquinoline has a molecular weight of 191.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-propan-2-yl-6,7-dihydroquinoline is sourced from PubChem (CID 168883126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).