3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol

C15H19ClFNO — CID 103039184

IUPAC3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)(Cc2ccc(F)c(Cl)c2)CN1C1CC1
InChIInChI=1S/C15H19ClFNO/c1-10-7-15(19,9-18(10)12-3-4-12)8-11-2-5-14(17)13(16)6-11/h2,5-6,10,12,19H,3-4,7-9H2,1H3
InChIKeyRSOLZDPNERMEDU-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.01
Rot. Bonds3

About 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol

3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol (PubChem CID 103039184) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol
PubChem CID103039184
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)(Cc2ccc(F)c(Cl)c2)CN1C1CC1
InChIInChI=1S/C15H19ClFNO/c1-10-7-15(19,9-18(10)12-3-4-12)8-11-2-5-14(17)13(16)6-11/h2,5-6,10,12,19H,3-4,7-9H2,1H3
InChIKeyRSOLZDPNERMEDU-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
4-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-ol
CID 103038905
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
CID 103564715
3-[(3-chloro-4-fluorophenyl)methyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 103042099
3-[(3-chloro-4-fluorophenyl)methyl]oxan-3-ol
CID 103039030
1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
CID 103039179
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 103041667
8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171961758
4-[(3-chloro-4-fluorophenyl)methyl]azepan-4-ol
CID 103039159
3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 103041673
[(1R,2R,4S)-7-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanol
CID 146044149

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol (CID 103039184) is 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol is CC1CC(O)(Cc2ccc(F)c(Cl)c2)CN1C1CC1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol?
The InChIKey is RSOLZDPNERMEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-10-7-15(19,9-18(10)12-3-4-12)8-11-2-5-14(17)13(16)6-11/h2,5-6,10,12,19H,3-4,7-9H2,1H3.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol?
3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol has a molecular weight of 283.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 103039184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).