3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol

C10H15F2NO — CID 106172947

IUPAC3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CC2CC=CC21
InChIInChI=1S/C10H15F2NO/c11-10(12,6-14)5-13-9-4-7-2-1-3-8(7)9/h1,3,7-9,13-14H,2,4-6H2
InChIKeyDJUJOJAAHPWGBF-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.17
Rot. Bonds4

About 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol

3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol (PubChem CID 106172947) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol
PubChem CID106172947
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CC2CC=CC21
InChIInChI=1S/C10H15F2NO/c11-10(12,6-14)5-13-9-4-7-2-1-3-8(7)9/h1,3,7-9,13-14H,2,4-6H2
InChIKeyDJUJOJAAHPWGBF-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol (CID 106172947) is 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CC2CC=CC21.
What is the InChIKey of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol?
The InChIKey is DJUJOJAAHPWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-10(12,6-14)5-13-9-4-7-2-1-3-8(7)9/h1,3,7-9,13-14H,2,4-6H2.
What are the key properties of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol?
3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol has a molecular weight of 203.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).