2-fluoro-N,N,3,3-tetramethylbutan-2-amine

C8H18FN — CID 139332456

IUPAC2-fluoro-N,N,3,3-tetramethylbutan-2-amine
SMILESCN(C)C(C)(F)C(C)(C)C
InChIInChI=1S/C8H18FN/c1-7(2,3)8(4,9)10(5)6/h1-6H3
InChIKeyUJXPCPLODUACMN-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.28
Rot. Bonds1

About 2-fluoro-N,N,3,3-tetramethylbutan-2-amine

2-fluoro-N,N,3,3-tetramethylbutan-2-amine (PubChem CID 139332456) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-fluoro-N,N,3,3-tetramethylbutan-2-amine.

Molecular Properties

Compound Name2-fluoro-N,N,3,3-tetramethylbutan-2-amine
PubChem CID139332456
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name2-fluoro-N,N,3,3-tetramethylbutan-2-amine
SMILESCN(C)C(C)(F)C(C)(C)C
InChIInChI=1S/C8H18FN/c1-7(2,3)8(4,9)10(5)6/h1-6H3
InChIKeyUJXPCPLODUACMN-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N,3,3-tetramethylbutan-2-amine?
The IUPAC name of 2-fluoro-N,N,3,3-tetramethylbutan-2-amine (CID 139332456) is 2-fluoro-N,N,3,3-tetramethylbutan-2-amine.
What is the SMILES notation for 2-fluoro-N,N,3,3-tetramethylbutan-2-amine?
The canonical SMILES for 2-fluoro-N,N,3,3-tetramethylbutan-2-amine is CN(C)C(C)(F)C(C)(C)C.
What is the InChIKey of 2-fluoro-N,N,3,3-tetramethylbutan-2-amine?
The InChIKey is UJXPCPLODUACMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-7(2,3)8(4,9)10(5)6/h1-6H3.
What are the key properties of 2-fluoro-N,N,3,3-tetramethylbutan-2-amine?
2-fluoro-N,N,3,3-tetramethylbutan-2-amine has a molecular weight of 147.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N,3,3-tetramethylbutan-2-amine is sourced from PubChem (CID 139332456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).