2,2-difluoro-3-(prop-2-enylamino)propan-1-ol

C6H11F2NO — CID 106176272

IUPAC2,2-difluoro-3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCC(F)(F)CO
InChIInChI=1S/C6H11F2NO/c1-2-3-9-4-6(7,8)5-10/h2,9-10H,1,3-5H2
InChIKeyBUZABWIBXBPVRN-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.39
Rot. Bonds5

About 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol

2,2-difluoro-3-(prop-2-enylamino)propan-1-ol (PubChem CID 106176272) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(prop-2-enylamino)propan-1-ol
PubChem CID106176272
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2,2-difluoro-3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCC(F)(F)CO
InChIInChI=1S/C6H11F2NO/c1-2-3-9-4-6(7,8)5-10/h2,9-10H,1,3-5H2
InChIKeyBUZABWIBXBPVRN-UHFFFAOYSA-N
XLogP0.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.39
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 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol (CID 106176272) is 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol is C=CCNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol?
The InChIKey is BUZABWIBXBPVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-2-3-9-4-6(7,8)5-10/h2,9-10H,1,3-5H2.
What are the key properties of 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol?
2,2-difluoro-3-(prop-2-enylamino)propan-1-ol has a molecular weight of 151.16 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(prop-2-enylamino)propan-1-ol is sourced from PubChem (CID 106176272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).