4,4-difluoro-3-methylpent-2-en-2-amine;ethane

C8H17F2N — CID 144510935

IUPAC4,4-difluoro-3-methylpent-2-en-2-amine;ethane
SMILESCC.CC(N)=C(C)C(C)(F)F
InChIInChI=1S/C6H11F2N.C2H6/c1-4(5(2)9)6(3,7)8;1-2/h9H2,1-3H3;1-2H3
InChIKeyXQOZTFTUTBAOPS-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.92
Rot. Bonds1

About 4,4-difluoro-3-methylpent-2-en-2-amine;ethane

4,4-difluoro-3-methylpent-2-en-2-amine;ethane (PubChem CID 144510935) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpent-2-en-2-amine;ethane.

Molecular Properties

Compound Name4,4-difluoro-3-methylpent-2-en-2-amine;ethane
PubChem CID144510935
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name4,4-difluoro-3-methylpent-2-en-2-amine;ethane
SMILESCC.CC(N)=C(C)C(C)(F)F
InChIInChI=1S/C6H11F2N.C2H6/c1-4(5(2)9)6(3,7)8;1-2/h9H2,1-3H3;1-2H3
InChIKeyXQOZTFTUTBAOPS-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpent-2-en-2-amine;ethane?
The IUPAC name of 4,4-difluoro-3-methylpent-2-en-2-amine;ethane (CID 144510935) is 4,4-difluoro-3-methylpent-2-en-2-amine;ethane.
What is the SMILES notation for 4,4-difluoro-3-methylpent-2-en-2-amine;ethane?
The canonical SMILES for 4,4-difluoro-3-methylpent-2-en-2-amine;ethane is CC.CC(N)=C(C)C(C)(F)F.
What is the InChIKey of 4,4-difluoro-3-methylpent-2-en-2-amine;ethane?
The InChIKey is XQOZTFTUTBAOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C2H6/c1-4(5(2)9)6(3,7)8;1-2/h9H2,1-3H3;1-2H3.
What are the key properties of 4,4-difluoro-3-methylpent-2-en-2-amine;ethane?
4,4-difluoro-3-methylpent-2-en-2-amine;ethane has a molecular weight of 165.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpent-2-en-2-amine;ethane is sourced from PubChem (CID 144510935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).