4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol

C11H13F2NO — CID 117303885

IUPAC4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2cc(F)c(F)cc2O)CCCN1
InChIInChI=1S/C11H13F2NO/c1-11(3-2-4-14-11)7-5-8(12)9(13)6-10(7)15/h5-6,14-15H,2-4H2,1H3
InChIKeyGNVHVVLSPZQTNP-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.27
Rot. Bonds1

About 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol

4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117303885) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117303885
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2cc(F)c(F)cc2O)CCCN1
InChIInChI=1S/C11H13F2NO/c1-11(3-2-4-14-11)7-5-8(12)9(13)6-10(7)15/h5-6,14-15H,2-4H2,1H3
InChIKeyGNVHVVLSPZQTNP-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945
2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
CID 117301641
4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol
CID 117298982
2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol
CID 117364454
2-(3-bromo-2,4,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116949
2-(4-bromo-2,3,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116947
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117372312
2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117437562
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol
CID 117313036

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol (CID 117303885) is 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol is CC1(c2cc(F)c(F)cc2O)CCCN1.
What is the InChIKey of 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is GNVHVVLSPZQTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-11(3-2-4-14-11)7-5-8(12)9(13)6-10(7)15/h5-6,14-15H,2-4H2,1H3.
What are the key properties of 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol?
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 213.23 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117303885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).