(1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine

C10H16F3N — CID 88543641

IUPAC(1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)CCC(F)(F)F)CC
InChIInChI=1S/C10H16F3N/c1-4-9(5-2)8-14(3)7-6-10(11,12)13/h4,8H,1,5-7H2,2-3H3/b9-8+
InChIKeyUKIAUIISXJHWRN-CMDGGOBGSA-N
MW207.24 g/mol
LogP3.35
Rot. Bonds5

About (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine

(1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine (PubChem CID 88543641) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine
PubChem CID88543641
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)CCC(F)(F)F)CC
InChIInChI=1S/C10H16F3N/c1-4-9(5-2)8-14(3)7-6-10(11,12)13/h4,8H,1,5-7H2,2-3H3/b9-8+
InChIKeyUKIAUIISXJHWRN-CMDGGOBGSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
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)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine (CID 88543641) is (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine is C=C/C(=C\N(C)CCC(F)(F)F)CC.
What is the InChIKey of (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine?
The InChIKey is UKIAUIISXJHWRN-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16F3N/c1-4-9(5-2)8-14(3)7-6-10(11,12)13/h4,8H,1,5-7H2,2-3H3/b9-8+.
What are the key properties of (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine?
(1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 88543641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).