(Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine

C8H15F3N2 — CID 163523940

IUPAC(Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine
SMILESCN/C(=C\CCCCN)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-13-7(8(9,10)11)5-3-2-4-6-12/h5,13H,2-4,6,12H2,1H3/b7-5-
InChIKeyDNDDYTLSMXGIPN-ALCCZGGFSA-N
MW196.22 g/mol
LogP1.78
Rot. Bonds5

About (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine

(Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine (PubChem CID 163523940) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine.

Molecular Properties

Compound Name(Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine
PubChem CID163523940
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name(Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine
SMILESCN/C(=C\CCCCN)C(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-13-7(8(9,10)11)5-3-2-4-6-12/h5,13H,2-4,6,12H2,1H3/b7-5-
InChIKeyDNDDYTLSMXGIPN-ALCCZGGFSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine?
The IUPAC name of (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine (CID 163523940) is (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine.
What is the SMILES notation for (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine?
The canonical SMILES for (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine is CN/C(=C\CCCCN)C(F)(F)F.
What is the InChIKey of (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine?
The InChIKey is DNDDYTLSMXGIPN-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-13-7(8(9,10)11)5-3-2-4-6-12/h5,13H,2-4,6,12H2,1H3/b7-5-.
What are the key properties of (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine?
(Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine has a molecular weight of 196.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine is sourced from PubChem (CID 163523940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).