(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

C9H17F2NO — CID 80605900

IUPAC(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)C(F)F
InChIInChI=1S/C9H17F2NO/c1-8(9(10)11)4-3-5-12-6-7-13-2/h4,9,12H,3,5-7H2,1-2H3/b8-4-
InChIKeyQPVSMIKYOHFRHH-YWEYNIOJSA-N
MW193.24 g/mol
LogP1.82
Rot. Bonds7

About (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (PubChem CID 80605900) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
PubChem CID80605900
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)C(F)F
InChIInChI=1S/C9H17F2NO/c1-8(9(10)11)4-3-5-12-6-7-13-2/h4,9,12H,3,5-7H2,1-2H3/b8-4-
InChIKeyQPVSMIKYOHFRHH-YWEYNIOJSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The IUPAC name of (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (CID 80605900) is (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is COCCNCC/C=C(/C)C(F)F.
What is the InChIKey of (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The InChIKey is QPVSMIKYOHFRHH-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(9(10)11)4-3-5-12-6-7-13-2/h4,9,12H,3,5-7H2,1-2H3/b8-4-.
What are the key properties of (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 80605900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).