3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol

C14H17ClFNO — CID 65146244

IUPAC3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
SMILESOC1(Cc2ccc(F)cc2Cl)CCN(C2CC2)C1
InChIInChI=1S/C14H17ClFNO/c15-13-7-11(16)2-1-10(13)8-14(18)5-6-17(9-14)12-3-4-12/h1-2,7,12,18H,3-6,8-9H2
InChIKeyBYHBPUGSDKPFOT-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.62
Rot. Bonds3

About 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol

3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol (PubChem CID 65146244) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
PubChem CID65146244
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
SMILESOC1(Cc2ccc(F)cc2Cl)CCN(C2CC2)C1
InChIInChI=1S/C14H17ClFNO/c15-13-7-11(16)2-1-10(13)8-14(18)5-6-17(9-14)12-3-4-12/h1-2,7,12,18H,3-6,8-9H2
InChIKeyBYHBPUGSDKPFOT-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

Analyze 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloro-3-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 112652969
4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol
CID 65146803
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145900
3-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145455
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 62977841
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 65147740
1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
CID 62975984
4-[(2-chloro-4-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562267
1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79853110
1-[(2-chloro-4-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315223

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol (CID 65146244) is 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol is OC1(Cc2ccc(F)cc2Cl)CCN(C2CC2)C1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is BYHBPUGSDKPFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-13-7-11(16)2-1-10(13)8-14(18)5-6-17(9-14)12-3-4-12/h1-2,7,12,18H,3-6,8-9H2.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol?
3-[(2-chloro-4-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-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 65146244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).