3-fluoro-4-methylpent-3-en-2-amine

C6H12FN — CID 90020604

IUPAC3-fluoro-4-methylpent-3-en-2-amine
SMILESCC(C)=C(F)C(C)N
InChIInChI=1S/C6H12FN/c1-4(2)6(7)5(3)8/h5H,8H2,1-3H3
InChIKeyDINVHHDOSASBBL-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.60
Rot. Bonds1

About 3-fluoro-4-methylpent-3-en-2-amine

3-fluoro-4-methylpent-3-en-2-amine (PubChem CID 90020604) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-fluoro-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name3-fluoro-4-methylpent-3-en-2-amine
PubChem CID90020604
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name3-fluoro-4-methylpent-3-en-2-amine
SMILESCC(C)=C(F)C(C)N
InChIInChI=1S/C6H12FN/c1-4(2)6(7)5(3)8/h5H,8H2,1-3H3
InChIKeyDINVHHDOSASBBL-UHFFFAOYSA-N
XLogP1.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylpent-3-en-2-amine?
The IUPAC name of 3-fluoro-4-methylpent-3-en-2-amine (CID 90020604) is 3-fluoro-4-methylpent-3-en-2-amine.
What is the SMILES notation for 3-fluoro-4-methylpent-3-en-2-amine?
The canonical SMILES for 3-fluoro-4-methylpent-3-en-2-amine is CC(C)=C(F)C(C)N.
What is the InChIKey of 3-fluoro-4-methylpent-3-en-2-amine?
The InChIKey is DINVHHDOSASBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-4(2)6(7)5(3)8/h5H,8H2,1-3H3.
What are the key properties of 3-fluoro-4-methylpent-3-en-2-amine?
3-fluoro-4-methylpent-3-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylpent-3-en-2-amine is sourced from PubChem (CID 90020604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).