3-(but-3-enylamino)-2,2-difluoropropan-1-ol

C7H13F2NO — CID 106175992

IUPAC3-(but-3-enylamino)-2,2-difluoropropan-1-ol
SMILESC=CCCNCC(F)(F)CO
InChIInChI=1S/C7H13F2NO/c1-2-3-4-10-5-7(8,9)6-11/h2,10-11H,1,3-6H2
InChIKeyQWCHBLQMCWPGGI-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.78
Rot. Bonds6

About 3-(but-3-enylamino)-2,2-difluoropropan-1-ol

3-(but-3-enylamino)-2,2-difluoropropan-1-ol (PubChem CID 106175992) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(but-3-enylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(but-3-enylamino)-2,2-difluoropropan-1-ol
PubChem CID106175992
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(but-3-enylamino)-2,2-difluoropropan-1-ol
SMILESC=CCCNCC(F)(F)CO
InChIInChI=1S/C7H13F2NO/c1-2-3-4-10-5-7(8,9)6-11/h2,10-11H,1,3-6H2
InChIKeyQWCHBLQMCWPGGI-UHFFFAOYSA-N
XLogP0.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(but-3-enylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(but-3-enylamino)-2,2-difluoropropan-1-ol (CID 106175992) is 3-(but-3-enylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(but-3-enylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(but-3-enylamino)-2,2-difluoropropan-1-ol is C=CCCNCC(F)(F)CO.
What is the InChIKey of 3-(but-3-enylamino)-2,2-difluoropropan-1-ol?
The InChIKey is QWCHBLQMCWPGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-2-3-4-10-5-7(8,9)6-11/h2,10-11H,1,3-6H2.
What are the key properties of 3-(but-3-enylamino)-2,2-difluoropropan-1-ol?
3-(but-3-enylamino)-2,2-difluoropropan-1-ol has a molecular weight of 165.18 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-enylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106175992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).