(2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine

C10H18FNO — CID 170112071

IUPAC(2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine
SMILESCNC/C(=C/C=C(C)C)COCF
InChIInChI=1S/C10H18FNO/c1-9(2)4-5-10(6-12-3)7-13-8-11/h4-5,12H,6-8H2,1-3H3/b10-5-
InChIKeyBMXBZUSKUMLMAJ-YHYXMXQVSA-N
MW187.26 g/mol
LogP2.04
Rot. Bonds6

About (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine

(2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine (PubChem CID 170112071) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine
PubChem CID170112071
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine
SMILESCNC/C(=C/C=C(C)C)COCF
InChIInChI=1S/C10H18FNO/c1-9(2)4-5-10(6-12-3)7-13-8-11/h4-5,12H,6-8H2,1-3H3/b10-5-
InChIKeyBMXBZUSKUMLMAJ-YHYXMXQVSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine (CID 170112071) is (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine is CNC/C(=C/C=C(C)C)COCF.
What is the InChIKey of (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine?
The InChIKey is BMXBZUSKUMLMAJ-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H18FNO/c1-9(2)4-5-10(6-12-3)7-13-8-11/h4-5,12H,6-8H2,1-3H3/b10-5-.
What are the key properties of (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine?
(2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine has a molecular weight of 187.26 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 170112071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).