2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol

C11H11ClF3NO — CID 168512807

IUPAC2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol
SMILESOc1c(Cl)cc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C11H11ClF3NO/c12-8-5-7(11(13,14)15)6-9(10(8)17)16-3-1-2-4-16/h5-6,17H,1-4H2
InChIKeyFFHJYVZRXVUWKX-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.66
Rot. Bonds1

About 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol

2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol (PubChem CID 168512807) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol
PubChem CID168512807
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol
SMILESOc1c(Cl)cc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C11H11ClF3NO/c12-8-5-7(11(13,14)15)6-9(10(8)17)16-3-1-2-4-16/h5-6,17H,1-4H2
InChIKeyFFHJYVZRXVUWKX-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine
CID 83791487
2-bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
1-[2-ethynyl-5-(trifluoromethyl)phenyl]piperidine
CID 169489204
1-[4,5-dichloro-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
CID 168512832
2-(1-aminocyclopentyl)-6-chloro-4-(trifluoromethyl)phenol
CID 117448623
1-[2-prop-1-ynyl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 24938344
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489159
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
CID 84690065
2-(azepan-1-yl)-3-chloro-N-(3,4-dichlorophenyl)-5-(trifluoromethyl)benzamide
CID 11854635
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol?
The IUPAC name of 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol (CID 168512807) is 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol is Oc1c(Cl)cc(C(F)(F)F)cc1N1CCCC1.
What is the InChIKey of 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol?
The InChIKey is FFHJYVZRXVUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-8-5-7(11(13,14)15)6-9(10(8)17)16-3-1-2-4-16/h5-6,17H,1-4H2.
What are the key properties of 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol?
2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol has a molecular weight of 265.66 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol is sourced from PubChem (CID 168512807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).