1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine

C9H12F3N — CID 174379181

IUPAC1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine
SMILESC/C=C\C=C(C)/N=C(\C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-5-6-7(2)13-8(3)9(10,11)12/h4-6H,1-3H3/b5-4-,7-6-,13-8+
InChIKeyYVRJWBTTZWCQSU-NURWVTDCSA-N
MW191.20 g/mol
LogP3.49
Rot. Bonds2

About 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine

1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine (PubChem CID 174379181) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine
PubChem CID174379181
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine
SMILESC/C=C\C=C(C)/N=C(\C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-5-6-7(2)13-8(3)9(10,11)12/h4-6H,1-3H3/b5-4-,7-6-,13-8+
InChIKeyYVRJWBTTZWCQSU-NURWVTDCSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine (CID 174379181) is 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine is C/C=C\C=C(C)/N=C(\C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine?
The InChIKey is YVRJWBTTZWCQSU-NURWVTDCSA-N. The full InChI is InChI=1S/C9H12F3N/c1-4-5-6-7(2)13-8(3)9(10,11)12/h4-6H,1-3H3/b5-4-,7-6-,13-8+.
What are the key properties of 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine?
1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine has a molecular weight of 191.20 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine is sourced from PubChem (CID 174379181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).