4-fluoro-4-(methoxymethyl)hept-6-en-1-amine

C9H18FNO — CID 103392425

IUPAC4-fluoro-4-(methoxymethyl)hept-6-en-1-amine
SMILESC=CCC(F)(CCCN)COC
InChIInChI=1S/C9H18FNO/c1-3-5-9(10,8-12-2)6-4-7-11/h3H,1,4-8,11H2,2H3
InChIKeyZKMFEMDFZAUNSV-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.66
Rot. Bonds7

About 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine

4-fluoro-4-(methoxymethyl)hept-6-en-1-amine (PubChem CID 103392425) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)hept-6-en-1-amine
PubChem CID103392425
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-fluoro-4-(methoxymethyl)hept-6-en-1-amine
SMILESC=CCC(F)(CCCN)COC
InChIInChI=1S/C9H18FNO/c1-3-5-9(10,8-12-2)6-4-7-11/h3H,1,4-8,11H2,2H3
InChIKeyZKMFEMDFZAUNSV-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.66
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

4-Fluoro-4-(methoxymethyl)hex-5-en-1-amine
CID 103392618
4-Fluoro-4-(methoxymethyl)-5-methylhex-5-en-1-amine
CID 103392660

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine (CID 103392425) is 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine is C=CCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine?
The InChIKey is ZKMFEMDFZAUNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-5-9(10,8-12-2)6-4-7-11/h3H,1,4-8,11H2,2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine?
4-fluoro-4-(methoxymethyl)hept-6-en-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)hept-6-en-1-amine is sourced from PubChem (CID 103392425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).