(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine

C15H27F3N2 — CID 129313875

IUPAC(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
SMILESC/C=C(\C=C/C(C)N(C)CC(F)(F)CC)CC(N)CF
InChIInChI=1S/C15H27F3N2/c1-5-13(9-14(19)10-16)8-7-12(3)20(4)11-15(17,18)6-2/h5,7-8,12,14H,6,9-11,19H2,1-4H3/b8-7-,13-5+
InChIKeyQWZRGUWMYOBNNS-XYGSGGKESA-N
MW292.39 g/mol
LogP3.54
Rot. Bonds9

About (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine

(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine (PubChem CID 129313875) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine.

Molecular Properties

Compound Name(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
PubChem CID129313875
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
SMILESC/C=C(\C=C/C(C)N(C)CC(F)(F)CC)CC(N)CF
InChIInChI=1S/C15H27F3N2/c1-5-13(9-14(19)10-16)8-7-12(3)20(4)11-15(17,18)6-2/h5,7-8,12,14H,6,9-11,19H2,1-4H3/b8-7-,13-5+
InChIKeyQWZRGUWMYOBNNS-XYGSGGKESA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine?
The IUPAC name of (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine (CID 129313875) is (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine.
What is the SMILES notation for (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine?
The canonical SMILES for (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine is C/C=C(\C=C/C(C)N(C)CC(F)(F)CC)CC(N)CF.
What is the InChIKey of (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine?
The InChIKey is QWZRGUWMYOBNNS-XYGSGGKESA-N. The full InChI is InChI=1S/C15H27F3N2/c1-5-13(9-14(19)10-16)8-7-12(3)20(4)11-15(17,18)6-2/h5,7-8,12,14H,6,9-11,19H2,1-4H3/b8-7-,13-5+.
What are the key properties of (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine?
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine is sourced from PubChem (CID 129313875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).