1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol

C15H21ClFNO — CID 103039633

IUPAC1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1ccc(F)c(Cl)c1)N1CCCC1
InChIInChI=1S/C15H21ClFNO/c1-15(2,18-7-3-4-8-18)14(19)10-11-5-6-13(17)12(16)9-11/h5-6,9,14,19H,3-4,7-8,10H2,1-2H3
InChIKeyOMZTUDHOZDSMQE-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.26
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol

1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol (PubChem CID 103039633) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
PubChem CID103039633
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1ccc(F)c(Cl)c1)N1CCCC1
InChIInChI=1S/C15H21ClFNO/c1-15(2,18-7-3-4-8-18)14(19)10-11-5-6-13(17)12(16)9-11/h5-6,9,14,19H,3-4,7-8,10H2,1-2H3
InChIKeyOMZTUDHOZDSMQE-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 103043966
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79056291
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 103040217
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol
CID 103039717
3-(3-chloro-4-fluorophenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82134465
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 103039428
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 79045595

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol (CID 103039633) is 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol is CC(C)(C(O)Cc1ccc(F)c(Cl)c1)N1CCCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is OMZTUDHOZDSMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-15(2,18-7-3-4-8-18)14(19)10-11-5-6-13(17)12(16)9-11/h5-6,9,14,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 285.79 g/mol, XLogP of 3.26, 4 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)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 103039633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).