(3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine

C13H21F2N — CID 146537629

IUPAC(3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine
SMILESC=C/C(N)=C/C=C(\C)CC(C)CC(C)(F)F
InChIInChI=1S/C13H21F2N/c1-5-12(16)7-6-10(2)8-11(3)9-13(4,14)15/h5-7,11H,1,8-9,16H2,2-4H3/b10-6+,12-7-
InChIKeyXRZBKQCHOQOMNC-NGSBCVAZSA-N
MW229.31 g/mol
LogP4.03
Rot. Bonds6

About (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine

(3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine (PubChem CID 146537629) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine
PubChem CID146537629
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC Name(3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine
SMILESC=C/C(N)=C/C=C(\C)CC(C)CC(C)(F)F
InChIInChI=1S/C13H21F2N/c1-5-12(16)7-6-10(2)8-11(3)9-13(4,14)15/h5-7,11H,1,8-9,16H2,2-4H3/b10-6+,12-7-
InChIKeyXRZBKQCHOQOMNC-NGSBCVAZSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 54.03
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 (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine (CID 146537629) is (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine is C=C/C(N)=C/C=C(\C)CC(C)CC(C)(F)F.
What is the InChIKey of (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine?
The InChIKey is XRZBKQCHOQOMNC-NGSBCVAZSA-N. The full InChI is InChI=1S/C13H21F2N/c1-5-12(16)7-6-10(2)8-11(3)9-13(4,14)15/h5-7,11H,1,8-9,16H2,2-4H3/b10-6+,12-7-.
What are the key properties of (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine?
(3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine has a molecular weight of 229.31 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine is sourced from PubChem (CID 146537629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).