4-(fluoromethyl)-2-pyrrolidin-3-ylphenol

C11H14FNO — CID 84666184

IUPAC4-(fluoromethyl)-2-pyrrolidin-3-ylphenol
SMILESOc1ccc(CF)cc1C1CCNC1
InChIInChI=1S/C11H14FNO/c12-6-8-1-2-11(14)10(5-8)9-3-4-13-7-9/h1-2,5,9,13-14H,3-4,6-7H2
InChIKeyOFERXCSTDFXYBZ-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.94
Rot. Bonds2

About 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol

4-(fluoromethyl)-2-pyrrolidin-3-ylphenol (PubChem CID 84666184) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name4-(fluoromethyl)-2-pyrrolidin-3-ylphenol
PubChem CID84666184
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-(fluoromethyl)-2-pyrrolidin-3-ylphenol
SMILESOc1ccc(CF)cc1C1CCNC1
InChIInChI=1S/C11H14FNO/c12-6-8-1-2-11(14)10(5-8)9-3-4-13-7-9/h1-2,5,9,13-14H,3-4,6-7H2
InChIKeyOFERXCSTDFXYBZ-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131169760
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol
CID 84688586
3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol
CID 139900091
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
CID 130691966
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
CID 130648349
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol?
The IUPAC name of 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol (CID 84666184) is 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol.
What is the SMILES notation for 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol?
The canonical SMILES for 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol is Oc1ccc(CF)cc1C1CCNC1.
What is the InChIKey of 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol?
The InChIKey is OFERXCSTDFXYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-6-8-1-2-11(14)10(5-8)9-3-4-13-7-9/h1-2,5,9,13-14H,3-4,6-7H2.
What are the key properties of 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol?
4-(fluoromethyl)-2-pyrrolidin-3-ylphenol has a molecular weight of 195.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-pyrrolidin-3-ylphenol is sourced from PubChem (CID 84666184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).