ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine

C11H22F3N — CID 144760644

IUPACethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
SMILESC/C=C(/C(C)C(F)(F)F)N(C)CC.CC
InChIInChI=1S/C9H16F3N.C2H6/c1-5-8(13(4)6-2)7(3)9(10,11)12;1-2/h5,7H,6H2,1-4H3;1-2H3/b8-5-;
InChIKeyKNWNXTIGYPOAPI-HGKIGUAWSA-N
MW225.30 g/mol
LogP4.07
Rot. Bonds3

About ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine

ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine (PubChem CID 144760644) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine.

Molecular Properties

Compound Nameethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
PubChem CID144760644
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Nameethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
SMILESC/C=C(/C(C)C(F)(F)F)N(C)CC.CC
InChIInChI=1S/C9H16F3N.C2H6/c1-5-8(13(4)6-2)7(3)9(10,11)12;1-2/h5,7H,6H2,1-4H3;1-2H3/b8-5-;
InChIKeyKNWNXTIGYPOAPI-HGKIGUAWSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine?
The IUPAC name of ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine (CID 144760644) is ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine.
What is the SMILES notation for ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine?
The canonical SMILES for ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine is C/C=C(/C(C)C(F)(F)F)N(C)CC.CC.
What is the InChIKey of ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine?
The InChIKey is KNWNXTIGYPOAPI-HGKIGUAWSA-N. The full InChI is InChI=1S/C9H16F3N.C2H6/c1-5-8(13(4)6-2)7(3)9(10,11)12;1-2/h5,7H,6H2,1-4H3;1-2H3/b8-5-;.
What are the key properties of ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine?
ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine has a molecular weight of 225.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine is sourced from PubChem (CID 144760644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).