3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol

C11H14FNO — CID 84720458

IUPAC3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol
SMILESCC1(F)CNC(c2cccc(O)c2)C1
InChIInChI=1S/C11H14FNO/c1-11(12)6-10(13-7-11)8-3-2-4-9(14)5-8/h2-5,10,13-14H,6-7H2,1H3
InChIKeyZGIZMVPWZQACCZ-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.15
Rot. Bonds1

About 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol

3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol (PubChem CID 84720458) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol
PubChem CID84720458
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol
SMILESCC1(F)CNC(c2cccc(O)c2)C1
InChIInChI=1S/C11H14FNO/c1-11(12)6-10(13-7-11)8-3-2-4-9(14)5-8/h2-5,10,13-14H,6-7H2,1H3
InChIKeyZGIZMVPWZQACCZ-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688
4,4-difluoro-2-(3-methylphenyl)pyrrolidine
CID 84720826
4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115039890
5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
CID 84725237
2-(3-bromophenyl)-4,4-difluoropyrrolidine
CID 84729618
3-(3,3-difluoropiperidin-4-yl)phenol
CID 105426893
3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride
CID 117227044
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
3-(2,2-dimethyloxan-4-yl)phenol
CID 155395042
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
CID 117228463
5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol
CID 143961477

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol (CID 84720458) is 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol is CC1(F)CNC(c2cccc(O)c2)C1.
What is the InChIKey of 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol?
The InChIKey is ZGIZMVPWZQACCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(12)6-10(13-7-11)8-3-2-4-9(14)5-8/h2-5,10,13-14H,6-7H2,1H3.
What are the key properties of 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol?
3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol has a molecular weight of 195.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 84720458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).