6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine

C9H13F2N — CID 177327972

IUPAC6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC(C(F)F)=CCC1
InChIInChI=1S/C9H13F2N/c1-6(2)7-4-3-5-8(12-7)9(10)11/h5-6,9H,3-4H2,1-2H3
InChIKeyFVQVCFBMEITHNR-UHFFFAOYSA-N
MW173.21 g/mol
LogP3.03
Rot. Bonds2

About 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine

6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine (PubChem CID 177327972) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine
PubChem CID177327972
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC(C(F)F)=CCC1
InChIInChI=1S/C9H13F2N/c1-6(2)7-4-3-5-8(12-7)9(10)11/h5-6,9H,3-4H2,1-2H3
InChIKeyFVQVCFBMEITHNR-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine (CID 177327972) is 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine is CC(C)C1=NC(C(F)F)=CCC1.
What is the InChIKey of 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine?
The InChIKey is FVQVCFBMEITHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c1-6(2)7-4-3-5-8(12-7)9(10)11/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine?
6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine has a molecular weight of 173.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 177327972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).