1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol

C12H15F2NO — CID 81466414

IUPAC1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO/c13-9-4-1-5-10(14)12(9)11(16)7-8-3-2-6-15-8/h1,4-5,8,11,15-16H,2-3,6-7H2
InChIKeySDLAIEDWWXRDNA-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.14
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol

1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol (PubChem CID 81466414) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
PubChem CID81466414
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO/c13-9-4-1-5-10(14)12(9)11(16)7-8-3-2-6-15-8/h1,4-5,8,11,15-16H,2-3,6-7H2
InChIKeySDLAIEDWWXRDNA-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-pyrrolidin-2-ylethanol
CID 81466022
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822
(1R)-1-(furan-2-yl)-2-[(2S)-pyrrolidin-2-yl]ethanol
CID 95975648
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol (CID 81466414) is 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol is OC(CC1CCCN1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol?
The InChIKey is SDLAIEDWWXRDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-4-1-5-10(14)12(9)11(16)7-8-3-2-6-15-8/h1,4-5,8,11,15-16H,2-3,6-7H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol?
1-(2,6-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-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 81466414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).