3-(3,4-Difluorophenyl)pyrrolidin-3-ol

HCID 63586972

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: OC1(c2ccc(F)c(F)c2)CCNC1
InChIKey: XIOOWKGFGBAJQW-UHFFFAOYSA-N
Molecular formula: C10H11F2NO
Average molar mass: 199.2 g/mol
Monoisotopic mass: 199.0808703

Names & identifiers

Preferred name: 3-(3,4-Difluorophenyl)pyrrolidin-3-ol
IUPAC: 3-(3,4-difluorophenyl)pyrrolidin-3-ol

Names & synonyms

3-(3,4-difluorophenyl)pyrrolidin-3-olSCHEMBL3107459XIOOWKGFGBAJQW-UHFFFAOYSA-NAKOS012896323AT523491092573-61-93-(3,4-difluorophenyl)-pyrrolidin-3-ol3-(3,4-DIFLUOROPHEN YL)PYRROLIDIN-3-OL

Database identifiers

PubChem CID: 63586972

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 214

Related reactions

20 records

New reaction record

HRID 122359As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 812056As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 831585As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1139173As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1539809As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1931803As reactantuspto-grants-2012_05

HRID 1931806As reactantuspto-grants-2012_05

HRID 1931814As reactantuspto-grants-2012_05

Compound notes

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