3-fluoro-5-propan-2-yl-2,3-dihydroquinoline

C12H14FN — CID 163719688

IUPAC3-fluoro-5-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)c1cccc2c1=CC(F)CN=2
InChIInChI=1S/C12H14FN/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-6,8-9H,7H2,1-2H3
InChIKeyKQLQHQKFMOYBLD-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.56
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline

3-fluoro-5-propan-2-yl-2,3-dihydroquinoline (PubChem CID 163719688) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-2,3-dihydroquinoline
PubChem CID163719688
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name3-fluoro-5-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)c1cccc2c1=CC(F)CN=2
InChIInChI=1S/C12H14FN/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-6,8-9H,7H2,1-2H3
InChIKeyKQLQHQKFMOYBLD-UHFFFAOYSA-N
XLogP1.56
TPSA12.36 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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline?
The IUPAC name of 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline (CID 163719688) is 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline?
The canonical SMILES for 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline is CC(C)c1cccc2c1=CC(F)CN=2.
What is the InChIKey of 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline?
The InChIKey is KQLQHQKFMOYBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline?
3-fluoro-5-propan-2-yl-2,3-dihydroquinoline has a molecular weight of 191.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-yl-2,3-dihydroquinoline is sourced from PubChem (CID 163719688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).