(Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine

C12H22F3NO — CID 113327558

IUPAC(Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CCCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-11(5-3-7-12(13,14)15)6-4-8-16-9-10-17-2/h6,16H,3-5,7-10H2,1-2H3/b11-6-
InChIKeyTUYWHIGJGHUEBN-WDZFZDKYSA-N
MW253.31 g/mol
LogP3.29
Rot. Bonds9

About (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine

(Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine (PubChem CID 113327558) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine.

Molecular Properties

Compound Name(Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine
PubChem CID113327558
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name(Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CCCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-11(5-3-7-12(13,14)15)6-4-8-16-9-10-17-2/h6,16H,3-5,7-10H2,1-2H3/b11-6-
InChIKeyTUYWHIGJGHUEBN-WDZFZDKYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.29
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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Related Compounds

2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62325992
2-(cyclohexen-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804511
5,5,5-trifluoro-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598929
7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine
CID 79599700
5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607147
7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
CID 79607314
(E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine
CID 80605543
(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 80605900
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215727
2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106173802
2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 106174164
(Z)-5-bromo-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 107140620

Frequently Asked Questions

What is the IUPAC name of (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine?
The IUPAC name of (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine (CID 113327558) is (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine.
What is the SMILES notation for (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine?
The canonical SMILES for (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine is COCCNCC/C=C(/C)CCCC(F)(F)F.
What is the InChIKey of (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine?
The InChIKey is TUYWHIGJGHUEBN-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(5-3-7-12(13,14)15)6-4-8-16-9-10-17-2/h6,16H,3-5,7-10H2,1-2H3/b11-6-.
What are the key properties of (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine?
(Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine is sourced from PubChem (CID 113327558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).