7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

C11H10F3N — CID 105466528

IUPAC7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
SMILESFC(F)(F)c1cccc2c1C1CC1CN2
InChIInChI=1S/C11H10F3N/c12-11(13,14)8-2-1-3-9-10(8)7-4-6(7)5-15-9/h1-3,6-7,15H,4-5H2
InChIKeyXGCCSQFZXHOLDZ-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.23
Rot. Bonds

About 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline

7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline (PubChem CID 105466528) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline.

Molecular Properties

Compound Name7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
PubChem CID105466528
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
SMILESFC(F)(F)c1cccc2c1C1CC1CN2
InChIInChI=1S/C11H10F3N/c12-11(13,14)8-2-1-3-9-10(8)7-4-6(7)5-15-9/h1-3,6-7,15H,4-5H2
InChIKeyXGCCSQFZXHOLDZ-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine
CID 117199340
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol
CID 117203039
(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol
CID 175391484
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 83392377
3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
CID 74034713
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 118483483
(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 140698565
(3aR,6aR)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 130365993
4,7-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 169499467
7-(1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinolin-7-yl)-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide
CID 152941658
1-(4-fluoro-2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117199925

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The IUPAC name of 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline (CID 105466528) is 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline.
What is the SMILES notation for 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The canonical SMILES for 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline is FC(F)(F)c1cccc2c1C1CC1CN2.
What is the InChIKey of 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
The InChIKey is XGCCSQFZXHOLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c12-11(13,14)8-2-1-3-9-10(8)7-4-6(7)5-15-9/h1-3,6-7,15H,4-5H2.
What are the key properties of 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline?
7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline has a molecular weight of 213.20 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline is sourced from PubChem (CID 105466528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).