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

C9H15BrF3NO — CID 112628065

IUPAC1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C9H15BrF3NO/c1-6(15)7-2-3-14(4-7)5-8(10)9(11,12)13/h6-8,15H,2-5H2,1H3
InChIKeyBYIIBKYVYXTPFQ-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.01
Rot. Bonds3

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

1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol (PubChem CID 112628065) has the molecular formula C9H15BrF3NO and a molecular weight of 290.12 g/mol. Its IUPAC name is 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
PubChem CID112628065
Molecular FormulaC9H15BrF3NO
Molecular Weight290.12 g/mol
Exact Mass289.03
IUPAC Name1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C9H15BrF3NO/c1-6(15)7-2-3-14(4-7)5-8(10)9(11,12)13/h6-8,15H,2-5H2,1H3
InChIKeyBYIIBKYVYXTPFQ-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.01
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-(2-bromo-3,3,3-trifluoropropyl)-4-propan-2-ylazepane
CID 64759361
[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
CID 112628033
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
CID 112626536
1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 112628064
1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol
CID 64756949
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 112628053
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
CID 106588378
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
CID 112629123
1-(2-bromo-3,3,3-trifluoropropyl)piperidine-3-carbonitrile
CID 164658014

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol (CID 112628065) is 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CC(Br)C(F)(F)F)C1.
What is the InChIKey of 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol?
The InChIKey is BYIIBKYVYXTPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3NO/c1-6(15)7-2-3-14(4-7)5-8(10)9(11,12)13/h6-8,15H,2-5H2,1H3.
What are the key properties of 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol has a molecular weight of 290.12 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).