4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol

C11H13ClFNO — CID 84793216

IUPAC4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
SMILESOc1c(F)cc(Cl)cc1CC1CCNC1
InChIInChI=1S/C11H13ClFNO/c12-9-4-8(11(15)10(13)5-9)3-7-1-2-14-6-7/h4-5,7,14-15H,1-3,6H2
InChIKeyFUDNGRMXOGVRPY-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.34
Rot. Bonds2

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

4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol (PubChem CID 84793216) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
PubChem CID84793216
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
SMILESOc1c(F)cc(Cl)cc1CC1CCNC1
InChIInChI=1S/C11H13ClFNO/c12-9-4-8(11(15)10(13)5-9)3-7-1-2-14-6-7/h4-5,7,14-15H,1-3,6H2
InChIKeyFUDNGRMXOGVRPY-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-trifluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84794176
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352
5-bromo-3-(pyrrolidin-3-ylmethyl)benzene-1,2-diol
CID 84809503
3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
CID 84802962
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84790581
4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682
2-tert-butyl-4-chloro-6-(piperidin-4-ylmethyl)phenol
CID 117452826
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol?
The IUPAC name of 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol (CID 84793216) is 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol.
What is the SMILES notation for 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol?
The canonical SMILES for 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol is Oc1c(F)cc(Cl)cc1CC1CCNC1.
What is the InChIKey of 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol?
The InChIKey is FUDNGRMXOGVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-9-4-8(11(15)10(13)5-9)3-7-1-2-14-6-7/h4-5,7,14-15H,1-3,6H2.
What are the key properties of 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol?
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol has a molecular weight of 229.68 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol is sourced from PubChem (CID 84793216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).