(1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine

C10H16F3N — CID 155088608

IUPAC(1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESCCC/C=C(C(=C/N)\CC)/C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-3-5-6-9(10(11,12)13)8(4-2)7-14/h6-7H,3-5,14H2,1-2H3/b8-7-,9-6+
InChIKeyDYMNLIMRUMLAHE-SOKJVCRVSA-N
MW207.24 g/mol
LogP3.53
Rot. Bonds4

About (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine

(1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine (PubChem CID 155088608) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
PubChem CID155088608
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESCCC/C=C(C(=C/N)\CC)/C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-3-5-6-9(10(11,12)13)8(4-2)7-14/h6-7H,3-5,14H2,1-2H3/b8-7-,9-6+
InChIKeyDYMNLIMRUMLAHE-SOKJVCRVSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine (CID 155088608) is (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine is CCC/C=C(C(=C/N)\CC)/C(F)(F)F.
What is the InChIKey of (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The InChIKey is DYMNLIMRUMLAHE-SOKJVCRVSA-N. The full InChI is InChI=1S/C10H16F3N/c1-3-5-6-9(10(11,12)13)8(4-2)7-14/h6-7H,3-5,14H2,1-2H3/b8-7-,9-6+.
What are the key properties of (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
(1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-2-ethyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine is sourced from PubChem (CID 155088608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).