2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline

C10H14F3N — CID 139617015

IUPAC2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
SMILESFC(F)(F)C1CCC2CCCC=C2N1
InChIInChI=1S/C10H14F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h4,7,9,14H,1-3,5-6H2
InChIKeyCGBKBHNIRKDCQG-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.98
Rot. Bonds

About 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline

2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline (PubChem CID 139617015) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
PubChem CID139617015
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
SMILESFC(F)(F)C1CCC2CCCC=C2N1
InChIInChI=1S/C10H14F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h4,7,9,14H,1-3,5-6H2
InChIKeyCGBKBHNIRKDCQG-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline
CID 134963507
4-(Difluoromethylidene)-tetrahydroquinoline
CID 171378030
1,2,3,4,4a,5,6,7-Octahydroquinoline
CID 17933009
4-(Trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinoline
CID 118589336
2,7-Difluoro-2,3,8a,9,10,10a-hexahydroacridine
CID 135193106
4-Piperazin-1-yl-2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
CID 142160730
2-(4-Fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine
CID 163927240
(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
CID 174095620
4-(Fluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline
CID 174265409
2-[3-(3,3-Difluorocyclohexyl)-2-methylprop-2-enyl]piperidine
CID 114225486
(4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroquinolin-4-amine
CID 162554635
(4aS,8aS)-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 10582843

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The IUPAC name of 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline (CID 139617015) is 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The canonical SMILES for 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline is FC(F)(F)C1CCC2CCCC=C2N1.
What is the InChIKey of 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
The InChIKey is CGBKBHNIRKDCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h4,7,9,14H,1-3,5-6H2.
What are the key properties of 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline?
2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline has a molecular weight of 205.22 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline is sourced from PubChem (CID 139617015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).