4-(trifluoromethyl)-1,2-dihydroquinoline

C10H8F3N — CID 145013105

IUPAC4-(trifluoromethyl)-1,2-dihydroquinoline
SMILESFC(F)(F)C1=CCNc2ccccc21
InChIInChI=1S/C10H8F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-5,14H,6H2
InChIKeyOSXKFXMQXVKJGP-UHFFFAOYSA-N
MW199.18 g/mol
LogP3.06
Rot. Bonds

About 4-(trifluoromethyl)-1,2-dihydroquinoline

4-(trifluoromethyl)-1,2-dihydroquinoline (PubChem CID 145013105) has the molecular formula C10H8F3N and a molecular weight of 199.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2-dihydroquinoline.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2-dihydroquinoline
PubChem CID145013105
Molecular FormulaC10H8F3N
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name4-(trifluoromethyl)-1,2-dihydroquinoline
SMILESFC(F)(F)C1=CCNc2ccccc21
InChIInChI=1S/C10H8F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-5,14H,6H2
InChIKeyOSXKFXMQXVKJGP-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dihydroquinoline-4-carbothioamide
CID 54517373
5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 175060030
2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
CID 162549726
N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide
CID 154340640
N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 117062220
3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride
CID 139776608
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
CID 12990251
6-chloro-4-phenyl-1,2-dihydroquinoline
CID 175842137
3-bromo-1,2-dihydroquinolin-4-ol
CID 123830845
1,2,3,4-tetrahydro-1,3-benzodiazepin-5-one
CID 121437311
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2-dihydroquinoline?
The IUPAC name of 4-(trifluoromethyl)-1,2-dihydroquinoline (CID 145013105) is 4-(trifluoromethyl)-1,2-dihydroquinoline.
What is the SMILES notation for 4-(trifluoromethyl)-1,2-dihydroquinoline?
The canonical SMILES for 4-(trifluoromethyl)-1,2-dihydroquinoline is FC(F)(F)C1=CCNc2ccccc21.
What is the InChIKey of 4-(trifluoromethyl)-1,2-dihydroquinoline?
The InChIKey is OSXKFXMQXVKJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-5,14H,6H2.
What are the key properties of 4-(trifluoromethyl)-1,2-dihydroquinoline?
4-(trifluoromethyl)-1,2-dihydroquinoline has a molecular weight of 199.18 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2-dihydroquinoline is sourced from PubChem (CID 145013105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).