6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol

C11H12ClF2NO — CID 117372352

IUPAC6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1c(Cl)cc(CC2CCCN2)c(F)c1F
InChIInChI=1S/C11H12ClF2NO/c12-8-5-6(4-7-2-1-3-15-7)9(13)10(14)11(8)16/h5,7,15-16H,1-4H2
InChIKeyNLFHFZWJYUVCFD-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.62
Rot. Bonds2

About 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol

6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117372352) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117372352
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1c(Cl)cc(CC2CCCN2)c(F)c1F
InChIInChI=1S/C11H12ClF2NO/c12-8-5-6(4-7-2-1-3-15-7)9(13)10(14)11(8)16/h5,7,15-16H,1-4H2
InChIKeyNLFHFZWJYUVCFD-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol
CID 117409121
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473840
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol (CID 117372352) is 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol is Oc1c(Cl)cc(CC2CCCN2)c(F)c1F.
What is the InChIKey of 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is NLFHFZWJYUVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c12-8-5-6(4-7-2-1-3-15-7)9(13)10(14)11(8)16/h5,7,15-16H,1-4H2.
What are the key properties of 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol?
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 247.67 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117372352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).