ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine

C12H26FNO — CID 177009600

IUPACethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine
SMILESCC.CC/C(=C\F)C(COC)CN(C)C
InChIInChI=1S/C10H20FNO.C2H6/c1-5-9(6-11)10(8-13-4)7-12(2)3;1-2/h6,10H,5,7-8H2,1-4H3;1-2H3/b9-6+;
InChIKeyZJWJQGKZLYEQFY-MLBSPLJJSA-N
MW219.34 g/mol
LogP3.10
Rot. Bonds6

About ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine

ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine (PubChem CID 177009600) has the molecular formula C12H26FNO and a molecular weight of 219.34 g/mol. Its IUPAC name is ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Nameethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine
PubChem CID177009600
Molecular FormulaC12H26FNO
Molecular Weight219.34 g/mol
Exact Mass219.20
IUPAC Nameethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine
SMILESCC.CC/C(=C\F)C(COC)CN(C)C
InChIInChI=1S/C10H20FNO.C2H6/c1-5-9(6-11)10(8-13-4)7-12(2)3;1-2/h6,10H,5,7-8H2,1-4H3;1-2H3/b9-6+;
InChIKeyZJWJQGKZLYEQFY-MLBSPLJJSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The IUPAC name of ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine (CID 177009600) is ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine is CC.CC/C(=C\F)C(COC)CN(C)C.
What is the InChIKey of ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The InChIKey is ZJWJQGKZLYEQFY-MLBSPLJJSA-N. The full InChI is InChI=1S/C10H20FNO.C2H6/c1-5-9(6-11)10(8-13-4)7-12(2)3;1-2/h6,10H,5,7-8H2,1-4H3;1-2H3/b9-6+;.
What are the key properties of ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine?
ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine has a molecular weight of 219.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 177009600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).