2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine

C9H18FN — CID 112566697

IUPAC2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine
SMILESC=C(C)C(F)(CN)C(C)(C)C
InChIInChI=1S/C9H18FN/c1-7(2)9(10,6-11)8(3,4)5/h1,6,11H2,2-5H3
InChIKeyFXTIVQCGTPYGBT-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.28
Rot. Bonds2

About 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine

2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine (PubChem CID 112566697) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine
PubChem CID112566697
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine
SMILESC=C(C)C(F)(CN)C(C)(C)C
InChIInChI=1S/C9H18FN/c1-7(2)9(10,6-11)8(3,4)5/h1,6,11H2,2-5H3
InChIKeyFXTIVQCGTPYGBT-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 15357083
CID 15357083
CID 139323967
CID 139323967
CID 166826137
CID 166826137
CID 107443667
CID 107443667
CID 112566666
CID 112566666
CID 112566981
CID 112566981
CID 112567013
CID 112567013
CID 112567946
CID 112567946
CID 126983508
CID 126983508
CID 81014986
CID 81014986
CID 90843746
CID 90843746
CID 91202185
CID 91202185

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine?
The IUPAC name of 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine (CID 112566697) is 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine.
What is the SMILES notation for 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine?
The canonical SMILES for 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine is C=C(C)C(F)(CN)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine?
The InChIKey is FXTIVQCGTPYGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)9(10,6-11)8(3,4)5/h1,6,11H2,2-5H3.
What are the key properties of 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine?
2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-fluoro-3-methylbut-3-en-1-amine is sourced from PubChem (CID 112566697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).