2-amino-7-fluoro-2-methylhept-4-enenitrile

C8H13FN2 — CID 123421751

IUPAC2-amino-7-fluoro-2-methylhept-4-enenitrile
SMILESCC(N)(C#N)CC=CCCF
InChIInChI=1S/C8H13FN2/c1-8(11,7-10)5-3-2-4-6-9/h2-3H,4-6,11H2,1H3
InChIKeyCRWKQLQMGQTSRG-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-7-fluoro-2-methylhept-4-enenitrile

2-amino-7-fluoro-2-methylhept-4-enenitrile (PubChem CID 123421751) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-amino-7-fluoro-2-methylhept-4-enenitrile.

Molecular Properties

Compound Name2-amino-7-fluoro-2-methylhept-4-enenitrile
PubChem CID123421751
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-amino-7-fluoro-2-methylhept-4-enenitrile
SMILESCC(N)(C#N)CC=CCCF
InChIInChI=1S/C8H13FN2/c1-8(11,7-10)5-3-2-4-6-9/h2-3H,4-6,11H2,1H3
InChIKeyCRWKQLQMGQTSRG-UHFFFAOYSA-N
XLogP1.53
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.53
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

(3E)-2-amino-2-(fluoromethyl)-3-pentenenitrile
CID 14597126
2-Amino-2-(fluoromethyl)pent-4-enenitrile
CID 20487151
2-Fluoromethyl-2-amino-3-pentenenitrile
CID 54175747
2-Amino-2-(fluoromethyl)hex-3-enenitrile
CID 88751861
(Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile
CID 91999097
(E)-6-amino-6-methylhept-3-enenitrile
CID 55290432

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-2-methylhept-4-enenitrile?
The IUPAC name of 2-amino-7-fluoro-2-methylhept-4-enenitrile (CID 123421751) is 2-amino-7-fluoro-2-methylhept-4-enenitrile.
What is the SMILES notation for 2-amino-7-fluoro-2-methylhept-4-enenitrile?
The canonical SMILES for 2-amino-7-fluoro-2-methylhept-4-enenitrile is CC(N)(C#N)CC=CCCF.
What is the InChIKey of 2-amino-7-fluoro-2-methylhept-4-enenitrile?
The InChIKey is CRWKQLQMGQTSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-8(11,7-10)5-3-2-4-6-9/h2-3H,4-6,11H2,1H3.
What are the key properties of 2-amino-7-fluoro-2-methylhept-4-enenitrile?
2-amino-7-fluoro-2-methylhept-4-enenitrile has a molecular weight of 156.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-2-methylhept-4-enenitrile is sourced from PubChem (CID 123421751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).