3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol

C14H17ClFNO — CID 112652969

IUPAC3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
SMILESOC1(Cc2cccc(F)c2Cl)CCN(C2CC2)C1
InChIInChI=1S/C14H17ClFNO/c15-13-10(2-1-3-12(13)16)8-14(18)6-7-17(9-14)11-4-5-11/h1-3,11,18H,4-9H2
InChIKeyJLIACXIRWXPEAA-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.62
Rot. Bonds3

About 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol

3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol (PubChem CID 112652969) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
PubChem CID112652969
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
SMILESOC1(Cc2cccc(F)c2Cl)CCN(C2CC2)C1
InChIInChI=1S/C14H17ClFNO/c15-13-10(2-1-3-12(13)16)8-14(18)6-7-17(9-14)11-4-5-11/h1-3,11,18H,4-9H2
InChIKeyJLIACXIRWXPEAA-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol (CID 112652969) is 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol is OC1(Cc2cccc(F)c2Cl)CCN(C2CC2)C1.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is JLIACXIRWXPEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-13-10(2-1-3-12(13)16)8-14(18)6-7-17(9-14)11-4-5-11/h1-3,11,18H,4-9H2.
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol?
3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol has a molecular weight of 269.75 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 112652969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).