2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol

C10H14FNO2 — CID 29038991

IUPAC2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
SMILESC[C@H](NCCO)c1ccc(O)c(F)c1
InChIInChI=1S/C10H14FNO2/c1-7(12-4-5-13)8-2-3-10(14)9(11)6-8/h2-3,6-7,12-14H,4-5H2,1H3/t7-/m0/s1
InChIKeyRPSYFAPOVMMSRH-ZETCQYMHSA-N
MW199.22 g/mol
LogP1.17
Rot. Bonds4

About 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol

2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol (PubChem CID 29038991) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
PubChem CID29038991
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
SMILESC[C@H](NCCO)c1ccc(O)c(F)c1
InChIInChI=1S/C10H14FNO2/c1-7(12-4-5-13)8-2-3-10(14)9(11)6-8/h2-3,6-7,12-14H,4-5H2,1H3/t7-/m0/s1
InChIKeyRPSYFAPOVMMSRH-ZETCQYMHSA-N
XLogP1.17
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
2-fluoro-4-[(1R)-1-hydrazinylethyl]phenol
CID 124537732
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol
CID 29038908
5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 103914694
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
2-fluoro-4-[1-(3-hydroxypropylamino)ethyl]benzonitrile
CID 115914455
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol?
The IUPAC name of 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol (CID 29038991) is 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol?
The canonical SMILES for 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol is C[C@H](NCCO)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol?
The InChIKey is RPSYFAPOVMMSRH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7(12-4-5-13)8-2-3-10(14)9(11)6-8/h2-3,6-7,12-14H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol?
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol has a molecular weight of 199.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol is sourced from PubChem (CID 29038991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).