(3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol

C11H14F2N2O — CID 70010394

IUPAC(3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol
SMILESOC(Nc1cc(F)cc(F)c1)[C@H]1CCCN1
InChIInChI=1S/C11H14F2N2O/c12-7-4-8(13)6-9(5-7)15-11(16)10-2-1-3-14-10/h4-6,10-11,14-16H,1-3H2/t10-,11?/m1/s1
InChIKeyBMLPKVWGGIXSED-NFJWQWPMSA-N
MW228.24 g/mol
LogP1.45
Rot. Bonds3

About (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol

(3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol (PubChem CID 70010394) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol
PubChem CID70010394
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name(3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol
SMILESOC(Nc1cc(F)cc(F)c1)[C@H]1CCCN1
InChIInChI=1S/C11H14F2N2O/c12-7-4-8(13)6-9(5-7)15-11(16)10-2-1-3-14-10/h4-6,10-11,14-16H,1-3H2/t10-,11?/m1/s1
InChIKeyBMLPKVWGGIXSED-NFJWQWPMSA-N
XLogP1.45
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol?
The IUPAC name of (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol (CID 70010394) is (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol is OC(Nc1cc(F)cc(F)c1)[C@H]1CCCN1.
What is the InChIKey of (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol?
The InChIKey is BMLPKVWGGIXSED-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-7-4-8(13)6-9(5-7)15-11(16)10-2-1-3-14-10/h4-6,10-11,14-16H,1-3H2/t10-,11?/m1/s1.
What are the key properties of (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol?
(3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol has a molecular weight of 228.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 70010394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).