2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol

C10H11ClFNO — CID 77131508

IUPAC2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol
SMILESOc1c(F)cc(C2CCCN2)cc1Cl
InChIInChI=1S/C10H11ClFNO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2
InChIKeyOHHXXXGOCWTPFF-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.61
Rot. Bonds1

About 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol

2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol (PubChem CID 77131508) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol
PubChem CID77131508
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol
SMILESOc1c(F)cc(C2CCCN2)cc1Cl
InChIInChI=1S/C10H11ClFNO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2
InChIKeyOHHXXXGOCWTPFF-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dichloro-4-(methylaminomethyl)phenol
CID 58911413
2-[(1R)-1-aminoethyl]-6-chloro-4-fluorophenol
CID 55277233
2-Chloro-4-[[(4-fluorophenyl)methylamino]methyl]phenol
CID 61683462
2-Chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
CID 62881476
2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518250
2-(1-Aminoethyl)-6-chloro-4-fluorophenol
CID 76222646
4-(Adamantan-1-ylaminomethyl)-2-chloro-6-fluoro-phenol
CID 89627107
2-Chloro-6-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)phenol
CID 124083959
2-Chloro-6-fluoro-4-[(3-methylhex-5-enylamino)methyl]phenol
CID 134232794
2-Chloro-4-[[5-[ethyl(phosphanylmethyl)amino]pentan-2-ylamino]methyl]-5-fluorophenol
CID 142098926
2-Chloro-4-[[3-(dimethylamino)propyl-methylamino]methyl]-5-fluorophenol
CID 142098938
2-Chloro-5-fluoro-4-(propylaminomethyl)phenol
CID 142098941

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol?
The IUPAC name of 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol (CID 77131508) is 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol.
What is the SMILES notation for 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol?
The canonical SMILES for 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol is Oc1c(F)cc(C2CCCN2)cc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol?
The InChIKey is OHHXXXGOCWTPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2.
What are the key properties of 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol?
2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol has a molecular weight of 215.65 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-4-pyrrolidin-2-ylphenol is sourced from PubChem (CID 77131508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).