2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol

C12H15F2NO — CID 84691153

IUPAC2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1c(CC2CCCN2)cccc1C(F)F
InChIInChI=1S/C12H15F2NO/c13-12(14)10-5-1-3-8(11(10)16)7-9-4-2-6-15-9/h1,3,5,9,12,15-16H,2,4,6-7H2
InChIKeyCSAMUJHKEZOFNR-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.62
Rot. Bonds3

About 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol

2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 84691153) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
PubChem CID84691153
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1c(CC2CCCN2)cccc1C(F)F
InChIInChI=1S/C12H15F2NO/c13-12(14)10-5-1-3-8(11(10)16)7-9-4-2-6-15-9/h1,3,5,9,12,15-16H,2,4,6-7H2
InChIKeyCSAMUJHKEZOFNR-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
CID 117455589
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
CID 117355163
2-phenylmethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117455633
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol (CID 84691153) is 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol is Oc1c(CC2CCCN2)cccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is CSAMUJHKEZOFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14)10-5-1-3-8(11(10)16)7-9-4-2-6-15-9/h1,3,5,9,12,15-16H,2,4,6-7H2.
What are the key properties of 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol?
2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 227.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 84691153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).