(7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine

C10H11F3N2 — CID 163655940

IUPAC(7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESCC1=CN[C@H]2C(C)=NC(C(F)(F)F)=CC12
InChIInChI=1S/C10H11F3N2/c1-5-4-14-9-6(2)15-8(3-7(5)9)10(11,12)13/h3-4,7,9,14H,1-2H3/t7?,9-/m0/s1
InChIKeyIQFHQOBTPYAOFY-NETXQHHPSA-N
MW216.21 g/mol
LogP2.40
Rot. Bonds

About (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine

(7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 163655940) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
PubChem CID163655940
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name(7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
SMILESCC1=CN[C@H]2C(C)=NC(C(F)(F)F)=CC12
InChIInChI=1S/C10H11F3N2/c1-5-4-14-9-6(2)15-8(3-7(5)9)10(11,12)13/h3-4,7,9,14H,1-2H3/t7?,9-/m0/s1
InChIKeyIQFHQOBTPYAOFY-NETXQHHPSA-N
XLogP2.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine (CID 163655940) is (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine is CC1=CN[C@H]2C(C)=NC(C(F)(F)F)=CC12.
What is the InChIKey of (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is IQFHQOBTPYAOFY-NETXQHHPSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-5-4-14-9-6(2)15-8(3-7(5)9)10(11,12)13/h3-4,7,9,14H,1-2H3/t7?,9-/m0/s1.
What are the key properties of (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine?
(7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 216.21 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3,7-dimethyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 163655940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).