7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline

C10H11F2N — CID 84658963

IUPAC7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)c1ccc2c(c1)NCCC2
InChIInChI=1S/C10H11F2N/c11-10(12)8-4-3-7-2-1-5-13-9(7)6-8/h3-4,6,10,13H,1-2,5H2
InChIKeyPGOLXTGHMFUFNX-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.98
Rot. Bonds1

About 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline

7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 84658963) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID84658963
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)c1ccc2c(c1)NCCC2
InChIInChI=1S/C10H11F2N/c11-10(12)8-4-3-7-2-1-5-13-9(7)6-8/h3-4,6,10,13H,1-2,5H2
InChIKeyPGOLXTGHMFUFNX-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Acridan
CID 7106
1,2,3,4-Tetrahydroquinoline
CID 69460
TFMPP hydrochloride
CID 3084246
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-(2-(Trifluoromethyl)phenyl)piperazine
CID 2777670
5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499
9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 18520432
1-(3,5-Bis(trifluoromethyl)phenyl)piperazine
CID 770558
1-(2,5-Xylyl)piperazine
CID 70542

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 84658963) is 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline is FC(F)c1ccc2c(c1)NCCC2.
What is the InChIKey of 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is PGOLXTGHMFUFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-10(12)8-4-3-7-2-1-5-13-9(7)6-8/h3-4,6,10,13H,1-2,5H2.
What are the key properties of 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline?
7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 183.20 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84658963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).