3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine

C9H18FN — CID 122645146

IUPAC3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(N(C)C(C)C)C(C)(C)F
InChIInChI=1S/C9H18FN/c1-7(2)11(6)8(3)9(4,5)10/h7H,3H2,1-2,4-6H3
InChIKeyBWFFYVMKCOZTSZ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.59
Rot. Bonds3

About 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine

3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine (PubChem CID 122645146) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine.

Molecular Properties

Compound Name3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine
PubChem CID122645146
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(N(C)C(C)C)C(C)(C)F
InChIInChI=1S/C9H18FN/c1-7(2)11(6)8(3)9(4,5)10/h7H,3H2,1-2,4-6H3
InChIKeyBWFFYVMKCOZTSZ-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine?
The IUPAC name of 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine (CID 122645146) is 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine.
What is the SMILES notation for 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine?
The canonical SMILES for 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine is C=C(N(C)C(C)C)C(C)(C)F.
What is the InChIKey of 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine?
The InChIKey is BWFFYVMKCOZTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)11(6)8(3)9(4,5)10/h7H,3H2,1-2,4-6H3.
What are the key properties of 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine?
3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine is sourced from PubChem (CID 122645146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).