2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine

C9H18FN — CID 144511134

IUPAC2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine
SMILESC=C(C)C(C)(CF)CN(C)C
InChIInChI=1S/C9H18FN/c1-8(2)9(3,6-10)7-11(4)5/h1,6-7H2,2-5H3
InChIKeyBIWYHFRYXSBLNS-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.10
Rot. Bonds4

About 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine

2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine (PubChem CID 144511134) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine
PubChem CID144511134
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine
SMILESC=C(C)C(C)(CF)CN(C)C
InChIInChI=1S/C9H18FN/c1-8(2)9(3,6-10)7-11(4)5/h1,6-7H2,2-5H3
InChIKeyBIWYHFRYXSBLNS-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine?
The IUPAC name of 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine (CID 144511134) is 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine.
What is the SMILES notation for 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine?
The canonical SMILES for 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine is C=C(C)C(C)(CF)CN(C)C.
What is the InChIKey of 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine?
The InChIKey is BIWYHFRYXSBLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)9(3,6-10)7-11(4)5/h1,6-7H2,2-5H3.
What are the key properties of 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine?
2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N,N,2,3-tetramethylbut-3-en-1-amine is sourced from PubChem (CID 144511134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).