4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline

C10H11F2N — CID 171378030

IUPAC4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline
SMILESFC(F)=C1CCNC2=CC=CCC21
InChIInChI=1S/C10H11F2N/c11-10(12)8-5-6-13-9-4-2-1-3-7(8)9/h1-2,4,7,13H,3,5-6H2
InChIKeyJKFDVGYHAHLQDL-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.59
Rot. Bonds

About 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline

4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline (PubChem CID 171378030) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline
PubChem CID171378030
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline
SMILESFC(F)=C1CCNC2=CC=CCC21
InChIInChI=1S/C10H11F2N/c11-10(12)8-5-6-13-9-4-2-1-3-7(8)9/h1-2,4,7,13H,3,5-6H2
InChIKeyJKFDVGYHAHLQDL-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline?
The IUPAC name of 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline (CID 171378030) is 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline?
The canonical SMILES for 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline is FC(F)=C1CCNC2=CC=CCC21.
What is the InChIKey of 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline?
The InChIKey is JKFDVGYHAHLQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-10(12)8-5-6-13-9-4-2-1-3-7(8)9/h1-2,4,7,13H,3,5-6H2.
What are the key properties of 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline?
4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline has a molecular weight of 183.20 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2,3,4a,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 171378030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).