1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol

C8H12BrF2NO — CID 123918644

IUPAC1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
SMILESOC1(C=CC(F)F)CCN(Br)CC1
InChIInChI=1S/C8H12BrF2NO/c9-12-5-3-8(13,4-6-12)2-1-7(10)11/h1-2,7,13H,3-6H2
InChIKeyJVWBFYSGWWYSII-UHFFFAOYSA-N
MW256.09 g/mol
LogP1.94
Rot. Bonds2

About 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol

1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol (PubChem CID 123918644) has the molecular formula C8H12BrF2NO and a molecular weight of 256.09 g/mol. Its IUPAC name is 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol.

Molecular Properties

Compound Name1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
PubChem CID123918644
Molecular FormulaC8H12BrF2NO
Molecular Weight256.09 g/mol
Exact Mass255.01
IUPAC Name1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
SMILESOC1(C=CC(F)F)CCN(Br)CC1
InChIInChI=1S/C8H12BrF2NO/c9-12-5-3-8(13,4-6-12)2-1-7(10)11/h1-2,7,13H,3-6H2
InChIKeyJVWBFYSGWWYSII-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
CID 90418895
(E)-4-(4,4,4-trifluorobut-1-enyl)piperidin-4-ol
CID 90447571
4-(4,4,4-Trifluorobut-1-enyl)piperidin-4-ol
CID 123163432
4-(3,3-Difluoroprop-1-enyl)piperidin-4-ol
CID 123968088
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol
CID 144699610
1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
CID 146582433
1-Tert-butyl-4-(4,4,4-trifluorobut-1-enyl)piperidin-4-ol
CID 173550945

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol?
The IUPAC name of 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol (CID 123918644) is 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol.
What is the SMILES notation for 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol?
The canonical SMILES for 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol is OC1(C=CC(F)F)CCN(Br)CC1.
What is the InChIKey of 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol?
The InChIKey is JVWBFYSGWWYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF2NO/c9-12-5-3-8(13,4-6-12)2-1-7(10)11/h1-2,7,13H,3-6H2.
What are the key properties of 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol?
1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol has a molecular weight of 256.09 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol is sourced from PubChem (CID 123918644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).