4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline

C10H12F3N — CID 118589336

IUPAC4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline
SMILESFC(F)(F)C1CCNC2=CC=CCC21
InChIInChI=1S/C10H12F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-2,4,7-8,14H,3,5-6H2
InChIKeyLQBQRQCRXXGBPF-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.62
Rot. Bonds

About 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline

4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline (PubChem CID 118589336) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline
PubChem CID118589336
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline
SMILESFC(F)(F)C1CCNC2=CC=CCC21
InChIInChI=1S/C10H12F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-2,4,7-8,14H,3,5-6H2
InChIKeyLQBQRQCRXXGBPF-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline?
The IUPAC name of 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline (CID 118589336) is 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline.
What is the SMILES notation for 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline?
The canonical SMILES for 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline is FC(F)(F)C1CCNC2=CC=CCC21.
What is the InChIKey of 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline?
The InChIKey is LQBQRQCRXXGBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-2,4,7-8,14H,3,5-6H2.
What are the key properties of 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline?
4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline has a molecular weight of 203.21 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline is sourced from PubChem (CID 118589336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).