(2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine

C11H19F2N — CID 156741113

IUPAC(2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine
SMILESC/C=C\C=C(/C)N(C)C(C)C(C)(F)F
InChIInChI=1S/C11H19F2N/c1-6-7-8-9(2)14(5)10(3)11(4,12)13/h6-8,10H,1-5H3/b7-6-,9-8+
InChIKeyYJCZJJFJMXJDIQ-NMMTYZSQSA-N
MW203.28 g/mol
LogP3.44
Rot. Bonds4

About (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine

(2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine (PubChem CID 156741113) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine
PubChem CID156741113
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine
SMILESC/C=C\C=C(/C)N(C)C(C)C(C)(F)F
InChIInChI=1S/C11H19F2N/c1-6-7-8-9(2)14(5)10(3)11(4,12)13/h6-8,10H,1-5H3/b7-6-,9-8+
InChIKeyYJCZJJFJMXJDIQ-NMMTYZSQSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.44
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 (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine (CID 156741113) is (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine is C/C=C\C=C(/C)N(C)C(C)C(C)(F)F.
What is the InChIKey of (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine?
The InChIKey is YJCZJJFJMXJDIQ-NMMTYZSQSA-N. The full InChI is InChI=1S/C11H19F2N/c1-6-7-8-9(2)14(5)10(3)11(4,12)13/h6-8,10H,1-5H3/b7-6-,9-8+.
What are the key properties of (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine?
(2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine has a molecular weight of 203.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 156741113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).