7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine

C9H16F3NO — CID 103392123

IUPAC7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine
SMILESCOCC(=CCC(F)(F)F)CCCN
InChIInChI=1S/C9H16F3NO/c1-14-7-8(3-2-6-13)4-5-9(10,11)12/h4H,2-3,5-7,13H2,1H3
InChIKeyQOXAAFUJEFYPKZ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.25
Rot. Bonds6

About 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine

7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine (PubChem CID 103392123) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine
PubChem CID103392123
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine
SMILESCOCC(=CCC(F)(F)F)CCCN
InChIInChI=1S/C9H16F3NO/c1-14-7-8(3-2-6-13)4-5-9(10,11)12/h4H,2-3,5-7,13H2,1H3
InChIKeyQOXAAFUJEFYPKZ-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoro-ethanamine
CID 105432007
5-(3,3-Difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 114225487
4-(Methoxymethyl)hex-4-en-1-amine
CID 103392067
4-(Methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
(Z)-4-(methoxymethyl)dec-4-en-1-amine
CID 103392069
(Z)-4-(methoxymethyl)non-4-en-1-amine
CID 103392070
(Z)-4-(methoxymethyl)dodec-4-en-1-amine
CID 103392071
(Z)-4-(methoxymethyl)-6-methylideneoct-4-en-1-amine
CID 103392077
(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine
CID 103392092
4-(Methoxymethyl)-8-methylnon-4-en-1-amine
CID 103392093
(Z)-4-(methoxymethyl)oct-4-en-1-amine
CID 103392097

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine?
The IUPAC name of 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine (CID 103392123) is 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine.
What is the SMILES notation for 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine?
The canonical SMILES for 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine is COCC(=CCC(F)(F)F)CCCN.
What is the InChIKey of 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine?
The InChIKey is QOXAAFUJEFYPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-14-7-8(3-2-6-13)4-5-9(10,11)12/h4H,2-3,5-7,13H2,1H3.
What are the key properties of 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine?
7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-4-(methoxymethyl)hept-4-en-1-amine is sourced from PubChem (CID 103392123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).