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

C9H18FN — CID 142520730

IUPACethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC.CC1CCN(C)C=C1F
InChIInChI=1S/C7H12FN.C2H6/c1-6-3-4-9(2)5-7(6)8;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyZCEGSMKDCIOPNL-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.80
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 142520730) has the molecular formula C9H18FN and a molecular weight of 159.25 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 CID142520730
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Nameethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC.CC1CCN(C)C=C1F
InChIInChI=1S/C7H12FN.C2H6/c1-6-3-4-9(2)5-7(6)8;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyZCEGSMKDCIOPNL-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.80
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 142520730) 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.CC1CCN(C)C=C1F.
What is the InChIKey of ethane;5-fluoro-1,4-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is ZCEGSMKDCIOPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN.C2H6/c1-6-3-4-9(2)5-7(6)8;1-2/h5-6H,3-4H2,1-2H3;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 159.25 g/mol, XLogP of 2.80, 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 142520730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).