3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol

C8H14BrF2NO — CID 131048262

IUPAC3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol
SMILESCCCN1CCC(O)(C(F)(F)Br)C1
InChIInChI=1S/C8H14BrF2NO/c1-2-4-12-5-3-7(13,6-12)8(9,10)11/h13H,2-6H2,1H3
InChIKeyLNFMAXQJMJBZLG-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.82
Rot. Bonds3

About 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol

3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol (PubChem CID 131048262) has the molecular formula C8H14BrF2NO and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol
PubChem CID131048262
Molecular FormulaC8H14BrF2NO
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol
SMILESCCCN1CCC(O)(C(F)(F)Br)C1
InChIInChI=1S/C8H14BrF2NO/c1-2-4-12-5-3-7(13,6-12)8(9,10)11/h13H,2-6H2,1H3
InChIKeyLNFMAXQJMJBZLG-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
1-(2-bromoethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130524207
(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129321905
(3S)-1-(3-methoxypropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97221959
(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
4-(1,1-difluoroethyl)-1-ethylpiperidin-4-ol
CID 175639257
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
3-(2-aminoethyl)-1-propylpyrrolidin-3-ol
CID 83914587
1-propyl-4-(trifluoromethyl)piperidin-4-amine
CID 63897165
4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol
CID 79124628
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
CID 126978498
5-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentanenitrile
CID 86778545

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol?
The IUPAC name of 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol (CID 131048262) is 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol.
What is the SMILES notation for 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol?
The canonical SMILES for 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol is CCCN1CCC(O)(C(F)(F)Br)C1.
What is the InChIKey of 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol?
The InChIKey is LNFMAXQJMJBZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO/c1-2-4-12-5-3-7(13,6-12)8(9,10)11/h13H,2-6H2,1H3.
What are the key properties of 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol?
3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol has a molecular weight of 258.11 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol is sourced from PubChem (CID 131048262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).