1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol

C14H18FNO — CID 62975984

IUPAC1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccc(F)cc1C1(O)CCN(C2CC2)C1
InChIInChI=1S/C14H18FNO/c1-10-2-3-11(15)8-13(10)14(17)6-7-16(9-14)12-4-5-12/h2-3,8,12,17H,4-7,9H2,1H3
InChIKeyOVFRXCBAYBPIKU-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.19
Rot. Bonds2

About 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol

1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol (PubChem CID 62975984) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
PubChem CID62975984
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccc(F)cc1C1(O)CCN(C2CC2)C1
InChIInChI=1S/C14H18FNO/c1-10-2-3-11(15)8-13(10)14(17)6-7-16(9-14)12-4-5-12/h2-3,8,12,17H,4-7,9H2,1H3
InChIKeyOVFRXCBAYBPIKU-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol (CID 62975984) is 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol is Cc1ccc(F)cc1C1(O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol?
The InChIKey is OVFRXCBAYBPIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-2-3-11(15)8-13(10)14(17)6-7-16(9-14)12-4-5-12/h2-3,8,12,17H,4-7,9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol?
1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol has a molecular weight of 235.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 62975984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).