9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol

C10H12F2N2O — CID 118357784

IUPAC9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
SMILESCCn1nc(C(F)F)c2c1C(O)C1CC21
InChIInChI=1S/C10H12F2N2O/c1-2-14-8-6(7(13-14)10(11)12)4-3-5(4)9(8)15/h4-5,9-10,15H,2-3H2,1H3
InChIKeyHGWUCFXPPQCCMI-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.99
Rot. Bonds2

About 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol

9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (PubChem CID 118357784) has the molecular formula C10H12F2N2O and a molecular weight of 214.21 g/mol. Its IUPAC name is 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.

Molecular Properties

Compound Name9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
PubChem CID118357784
Molecular FormulaC10H12F2N2O
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC Name9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
SMILESCCn1nc(C(F)F)c2c1C(O)C1CC21
InChIInChI=1S/C10H12F2N2O/c1-2-14-8-6(7(13-14)10(11)12)4-3-5(4)9(8)15/h4-5,9-10,15H,2-3H2,1H3
InChIKeyHGWUCFXPPQCCMI-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The IUPAC name of 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (CID 118357784) is 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.
What is the SMILES notation for 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The canonical SMILES for 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is CCn1nc(C(F)F)c2c1C(O)C1CC21.
What is the InChIKey of 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
The InChIKey is HGWUCFXPPQCCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-2-14-8-6(7(13-14)10(11)12)4-3-5(4)9(8)15/h4-5,9-10,15H,2-3H2,1H3.
What are the key properties of 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?
9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol has a molecular weight of 214.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is sourced from PubChem (CID 118357784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).