(2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine

C9H12F3N — CID 155402641

IUPAC(2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine
SMILESC/C(N)=C/C=C(\C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-6(13)2-5-8(7-3-4-7)9(10,11)12/h2,5,7H,3-4,13H2,1H3/b6-2-,8-5+
InChIKeyPBCIOGRXOMXCGX-ASEGHKSTSA-N
MW191.20 g/mol
LogP2.75
Rot. Bonds2

About (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine

(2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine (PubChem CID 155402641) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine
PubChem CID155402641
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine
SMILESC/C(N)=C/C=C(\C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-6(13)2-5-8(7-3-4-7)9(10,11)12/h2,5,7H,3-4,13H2,1H3/b6-2-,8-5+
InChIKeyPBCIOGRXOMXCGX-ASEGHKSTSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.75
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 (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine (CID 155402641) is (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine is C/C(N)=C/C=C(\C1CC1)C(F)(F)F.
What is the InChIKey of (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine?
The InChIKey is PBCIOGRXOMXCGX-ASEGHKSTSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(13)2-5-8(7-3-4-7)9(10,11)12/h2,5,7H,3-4,13H2,1H3/b6-2-,8-5+.
What are the key properties of (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine?
(2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine has a molecular weight of 191.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-cyclopropyl-6,6,6-trifluorohexa-2,4-dien-2-amine is sourced from PubChem (CID 155402641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).