[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol

C12H15ClFNO — CID 64868400

IUPAC[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H15ClFNO/c13-11-5-9(1-2-12(11)14)6-15-4-3-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2
InChIKeyZJGGQLPHOIKWOL-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.29
Rot. Bonds3

About [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol

[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 64868400) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID64868400
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H15ClFNO/c13-11-5-9(1-2-12(11)14)6-15-4-3-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2
InChIKeyZJGGQLPHOIKWOL-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 64868400) is [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is ZJGGQLPHOIKWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-11-5-9(1-2-12(11)14)6-15-4-3-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2.
What are the key properties of [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 243.71 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64868400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).