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

C12H14FN — CID 89318114

IUPAC7-fluoro-6-propan-2-yl-6,7-dihydroquinoline
SMILESCC(C)C1C=c2cccnc2=CC1F
InChIInChI=1S/C12H14FN/c1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13/h3-8,10-11H,1-2H3
InChIKeyVTNGMBQLNBDIJA-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.27
Rot. Bonds1

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

7-fluoro-6-propan-2-yl-6,7-dihydroquinoline (PubChem CID 89318114) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline.

Molecular Properties

Compound Name7-fluoro-6-propan-2-yl-6,7-dihydroquinoline
PubChem CID89318114
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name7-fluoro-6-propan-2-yl-6,7-dihydroquinoline
SMILESCC(C)C1C=c2cccnc2=CC1F
InChIInChI=1S/C12H14FN/c1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13/h3-8,10-11H,1-2H3
InChIKeyVTNGMBQLNBDIJA-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline?
The IUPAC name of 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline (CID 89318114) is 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline.
What is the SMILES notation for 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline?
The canonical SMILES for 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline is CC(C)C1C=c2cccnc2=CC1F.
What is the InChIKey of 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline?
The InChIKey is VTNGMBQLNBDIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8(2)10-6-9-4-3-5-14-12(9)7-11(10)13/h3-8,10-11H,1-2H3.
What are the key properties of 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline?
7-fluoro-6-propan-2-yl-6,7-dihydroquinoline has a molecular weight of 191.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-propan-2-yl-6,7-dihydroquinoline is sourced from PubChem (CID 89318114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).