[1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol

C11H14ClFN2O — CID 66078198

IUPAC[1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol
SMILESNc1cc(Cl)c(F)cc1N1CCCC1CO
InChIInChI=1S/C11H14ClFN2O/c12-8-4-10(14)11(5-9(8)13)15-3-1-2-7(15)6-16/h4-5,7,16H,1-3,6,14H2
InChIKeyJPVUAONTTVSJKN-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.02
Rot. Bonds2

About [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol

[1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol (PubChem CID 66078198) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol
PubChem CID66078198
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name[1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol
SMILESNc1cc(Cl)c(F)cc1N1CCCC1CO
InChIInChI=1S/C11H14ClFN2O/c12-8-4-10(14)11(5-9(8)13)15-3-1-2-7(15)6-16/h4-5,7,16H,1-3,6,14H2
InChIKeyJPVUAONTTVSJKN-UHFFFAOYSA-N
XLogP2.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol (CID 66078198) is [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol is Nc1cc(Cl)c(F)cc1N1CCCC1CO.
What is the InChIKey of [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is JPVUAONTTVSJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-8-4-10(14)11(5-9(8)13)15-3-1-2-7(15)6-16/h4-5,7,16H,1-3,6,14H2.
What are the key properties of [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol?
[1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 244.70 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66078198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).