(1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine

C8H12F3N — CID 162557066

IUPAC(1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)C(C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-7(4-5-12)6(2)8(9,10)11/h3-6H,12H2,1-2H3/b5-4-,7-3+
InChIKeyKWHCDTGCUUMFCF-SBYNAHCQSA-N
MW179.19 g/mol
LogP2.60
Rot. Bonds2

About (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine

(1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine (PubChem CID 162557066) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine
PubChem CID162557066
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)C(C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-7(4-5-12)6(2)8(9,10)11/h3-6H,12H2,1-2H3/b5-4-,7-3+
InChIKeyKWHCDTGCUUMFCF-SBYNAHCQSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.60
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)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine (CID 162557066) is (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine is C/C=C(\C=C/N)C(C)C(F)(F)F.
What is the InChIKey of (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine?
The InChIKey is KWHCDTGCUUMFCF-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-7(4-5-12)6(2)8(9,10)11/h3-6H,12H2,1-2H3/b5-4-,7-3+.
What are the key properties of (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine?
(1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine has a molecular weight of 179.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-(1,1,1-trifluoropropan-2-yl)penta-1,3-dien-1-amine is sourced from PubChem (CID 162557066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).