(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine

C9H16F3NO — CID 143076621

IUPAC(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
SMILESCC/C=C(\OCC)C(N)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-5-8(14-4-2)7(13)6-9(10,11)12/h5,7H,3-4,6,13H2,1-2H3/b8-5-
InChIKeyXJTYHWCWHFFRFX-YVMONPNESA-N
MW211.23 g/mol
LogP2.60
Rot. Bonds5

About (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine

(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine (PubChem CID 143076621) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine.

Molecular Properties

Compound Name(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
PubChem CID143076621
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
SMILESCC/C=C(\OCC)C(N)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-5-8(14-4-2)7(13)6-9(10,11)12/h5,7H,3-4,6,13H2,1-2H3/b8-5-
InChIKeyXJTYHWCWHFFRFX-YVMONPNESA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine?
The IUPAC name of (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine (CID 143076621) is (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine.
What is the SMILES notation for (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine?
The canonical SMILES for (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine is CC/C=C(\OCC)C(N)CC(F)(F)F.
What is the InChIKey of (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine?
The InChIKey is XJTYHWCWHFFRFX-YVMONPNESA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-5-8(14-4-2)7(13)6-9(10,11)12/h5,7H,3-4,6,13H2,1-2H3/b8-5-.
What are the key properties of (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine?
(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine has a molecular weight of 211.23 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine is sourced from PubChem (CID 143076621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).