[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol

C8H13BrF3NO — CID 112628033

IUPAC[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C8H13BrF3NO/c9-7(8(10,11)12)4-13-2-1-6(3-13)5-14/h6-7,14H,1-5H2
InChIKeyAQTIICNCHBQMJL-UHFFFAOYSA-N
MW276.10 g/mol
LogP1.63
Rot. Bonds3

About [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol

[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol (PubChem CID 112628033) has the molecular formula C8H13BrF3NO and a molecular weight of 276.10 g/mol. Its IUPAC name is [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
PubChem CID112628033
Molecular FormulaC8H13BrF3NO
Molecular Weight276.10 g/mol
Exact Mass275.01
IUPAC Name[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C8H13BrF3NO/c9-7(8(10,11)12)4-13-2-1-6(3-13)5-14/h6-7,14H,1-5H2
InChIKeyAQTIICNCHBQMJL-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 51.63
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-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 112628065
1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol
CID 64756949
1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
CID 106588378
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
CID 83146581
[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 112628032
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
1-(2-bromo-3,3,3-trifluoropropyl)piperidine-3-carbonitrile
CID 164658014
2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112626151
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
CID 124508985
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
1-(2-bromo-3,3,3-trifluoropropyl)-4-propan-2-ylazepane
CID 64759361

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol (CID 112628033) is [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol is OCC1CCN(CC(Br)C(F)(F)F)C1.
What is the InChIKey of [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol?
The InChIKey is AQTIICNCHBQMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF3NO/c9-7(8(10,11)12)4-13-2-1-6(3-13)5-14/h6-7,14H,1-5H2.
What are the key properties of [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol?
[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol has a molecular weight of 276.10 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112628033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).