ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine

C11H24FN — CID 142338088

IUPACethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC.CC.CC1CCN(C)C=C1F
InChIInChI=1S/C7H12FN.2C2H6/c1-6-3-4-9(2)5-7(6)8;2*1-2/h5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeySTPLFAKBDHLESL-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.82
Rot. Bonds

About ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine

ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 142338088) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID142338088
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Nameethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC.CC.CC1CCN(C)C=C1F
InChIInChI=1S/C7H12FN.2C2H6/c1-6-3-4-9(2)5-7(6)8;2*1-2/h5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeySTPLFAKBDHLESL-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine (CID 142338088) is ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine is CC.CC.CC1CCN(C)C=C1F.
What is the InChIKey of ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is STPLFAKBDHLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN.2C2H6/c1-6-3-4-9(2)5-7(6)8;2*1-2/h5-6H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine?
ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 189.32 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 142338088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).