2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol

C10H17F2NO — CID 167184628

IUPAC2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol
SMILESC=C(C)C1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C10H17F2NO/c1-7(2)8-3-9(4-8)13-5-10(11,12)6-14/h8-9,13-14H,1,3-6H2,2H3
InChIKeyIPESVZRUHNLZLX-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.56
Rot. Bonds5

About 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol

2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol (PubChem CID 167184628) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol
PubChem CID167184628
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol
SMILESC=C(C)C1CC(NCC(F)(F)CO)C1
InChIInChI=1S/C10H17F2NO/c1-7(2)8-3-9(4-8)13-5-10(11,12)6-14/h8-9,13-14H,1,3-6H2,2H3
InChIKeyIPESVZRUHNLZLX-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.56
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 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol (CID 167184628) is 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol is C=C(C)C1CC(NCC(F)(F)CO)C1.
What is the InChIKey of 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol?
The InChIKey is IPESVZRUHNLZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7(2)8-3-9(4-8)13-5-10(11,12)6-14/h8-9,13-14H,1,3-6H2,2H3.
What are the key properties of 2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol?
2,2-difluoro-3-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol has a molecular weight of 205.25 g/mol, XLogP of 1.56, 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-[(3-prop-1-en-2-ylcyclobutyl)amino]propan-1-ol is sourced from PubChem (CID 167184628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).