(2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine

C11H19F2N — CID 146586088

IUPAC(2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)(F)F)NC(C)CC
InChIInChI=1S/C11H19F2N/c1-5-9(3)14-10(6-2)7-8-11(4,12)13/h6-9,14H,5H2,1-4H3/b8-7-,10-6+
InChIKeyRITMZTYHSDJGLC-SDHBEMGISA-N
MW203.28 g/mol
LogP3.49
Rot. Bonds5

About (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine

(2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine (PubChem CID 146586088) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine
PubChem CID146586088
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)(F)F)NC(C)CC
InChIInChI=1S/C11H19F2N/c1-5-9(3)14-10(6-2)7-8-11(4,12)13/h6-9,14H,5H2,1-4H3/b8-7-,10-6+
InChIKeyRITMZTYHSDJGLC-SDHBEMGISA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.49
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 (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine (CID 146586088) is (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine is C/C=C(\C=C/C(C)(F)F)NC(C)CC.
What is the InChIKey of (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine?
The InChIKey is RITMZTYHSDJGLC-SDHBEMGISA-N. The full InChI is InChI=1S/C11H19F2N/c1-5-9(3)14-10(6-2)7-8-11(4,12)13/h6-9,14H,5H2,1-4H3/b8-7-,10-6+.
What are the key properties of (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine?
(2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine has a molecular weight of 203.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine is sourced from PubChem (CID 146586088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).