1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol

C12H15F2NO — CID 81466022

IUPAC1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c13-8-3-4-10(11(14)6-8)12(16)7-9-2-1-5-15-9/h3-4,6,9,12,15-16H,1-2,5,7H2
InChIKeyVTYQORPLELRNGS-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.14
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol

1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol (PubChem CID 81466022) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
PubChem CID81466022
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c13-8-3-4-10(11(14)6-8)12(16)7-9-2-1-5-15-9/h3-4,6,9,12,15-16H,1-2,5,7H2
InChIKeyVTYQORPLELRNGS-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol
CID 81467090
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol (CID 81466022) is 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol is OC(CC1CCCN1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol?
The InChIKey is VTYQORPLELRNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-8-3-4-10(11(14)6-8)12(16)7-9-2-1-5-15-9/h3-4,6,9,12,15-16H,1-2,5,7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol?
1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol has a molecular weight of 227.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 81466022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).