5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol

C10H12FNO — CID 96744761

IUPAC5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
SMILESOc1cc(F)ccc1[C@@H]1CCNC1
InChIInChI=1S/C10H12FNO/c11-8-1-2-9(10(13)5-8)7-3-4-12-6-7/h1-2,5,7,12-13H,3-4,6H2/t7-/m1/s1
InChIKeyPRIBZBVPQMSDCK-SSDOTTSWSA-N
MW181.21 g/mol
LogP1.61
Rot. Bonds1

About 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol

5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol (PubChem CID 96744761) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
PubChem CID96744761
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
SMILESOc1cc(F)ccc1[C@@H]1CCNC1
InChIInChI=1S/C10H12FNO/c11-8-1-2-9(10(13)5-8)7-3-4-12-6-7/h1-2,5,7,12-13H,3-4,6H2/t7-/m1/s1
InChIKeyPRIBZBVPQMSDCK-SSDOTTSWSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol
CID 24984171
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
5-fluoro-2-pyrrolidin-3-ylbenzaldehyde
CID 117283556
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
CID 117299003
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine
CID 171510254
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol?
The IUPAC name of 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol (CID 96744761) is 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol?
The canonical SMILES for 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol is Oc1cc(F)ccc1[C@@H]1CCNC1.
What is the InChIKey of 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol?
The InChIKey is PRIBZBVPQMSDCK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-1-2-9(10(13)5-8)7-3-4-12-6-7/h1-2,5,7,12-13H,3-4,6H2/t7-/m1/s1.
What are the key properties of 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol?
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol has a molecular weight of 181.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol is sourced from PubChem (CID 96744761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).