(2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine

C11H20FN — CID 167084262

IUPAC(2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine
SMILESCNC/C(C)=C(/C)C(C)/C=C\CF
InChIInChI=1S/C11H20FN/c1-9(6-5-7-12)11(3)10(2)8-13-4/h5-6,9,13H,7-8H2,1-4H3/b6-5-,11-10-
InChIKeyHXKOBPDPFOLTME-VIFBMRGNSA-N
MW185.29 g/mol
LogP2.70
Rot. Bonds5

About (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine

(2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine (PubChem CID 167084262) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine
PubChem CID167084262
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine
SMILESCNC/C(C)=C(/C)C(C)/C=C\CF
InChIInChI=1S/C11H20FN/c1-9(6-5-7-12)11(3)10(2)8-13-4/h5-6,9,13H,7-8H2,1-4H3/b6-5-,11-10-
InChIKeyHXKOBPDPFOLTME-VIFBMRGNSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine?
The IUPAC name of (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine (CID 167084262) is (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine.
What is the SMILES notation for (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine?
The canonical SMILES for (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine is CNC/C(C)=C(/C)C(C)/C=C\CF.
What is the InChIKey of (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine?
The InChIKey is HXKOBPDPFOLTME-VIFBMRGNSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(6-5-7-12)11(3)10(2)8-13-4/h5-6,9,13H,7-8H2,1-4H3/b6-5-,11-10-.
What are the key properties of (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine?
(2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-7-fluoro-N,2,3,4-tetramethylhepta-2,5-dien-1-amine is sourced from PubChem (CID 167084262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).