5-(2-amino-1-hydroxybutyl)-2-fluorophenol

C10H14FNO2 — CID 123621171

IUPAC5-(2-amino-1-hydroxybutyl)-2-fluorophenol
SMILESCCC(N)C(O)c1ccc(F)c(O)c1
InChIInChI=1S/C10H14FNO2/c1-2-8(12)10(14)6-3-4-7(11)9(13)5-6/h3-5,8,10,13-14H,2,12H2,1H3
InChIKeyKCKQNXAMQPNYDR-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.30
Rot. Bonds3

About 5-(2-amino-1-hydroxybutyl)-2-fluorophenol

5-(2-amino-1-hydroxybutyl)-2-fluorophenol (PubChem CID 123621171) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxybutyl)-2-fluorophenol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxybutyl)-2-fluorophenol
PubChem CID123621171
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name5-(2-amino-1-hydroxybutyl)-2-fluorophenol
SMILESCCC(N)C(O)c1ccc(F)c(O)c1
InChIInChI=1S/C10H14FNO2/c1-2-8(12)10(14)6-3-4-7(11)9(13)5-6/h3-5,8,10,13-14H,2,12H2,1H3
InChIKeyKCKQNXAMQPNYDR-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
CID 81436992
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol
CID 59470562
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
CID 83699285
2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
CID 115527154
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
(1S,2R)-2-amino-1-(3-aminophenyl)butan-1-ol
CID 131093419
5-(3-amino-1-hydroxypropyl)-2-fluorophenol
CID 84769630
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 43566144
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxybutyl)-2-fluorophenol?
The IUPAC name of 5-(2-amino-1-hydroxybutyl)-2-fluorophenol (CID 123621171) is 5-(2-amino-1-hydroxybutyl)-2-fluorophenol.
What is the SMILES notation for 5-(2-amino-1-hydroxybutyl)-2-fluorophenol?
The canonical SMILES for 5-(2-amino-1-hydroxybutyl)-2-fluorophenol is CCC(N)C(O)c1ccc(F)c(O)c1.
What is the InChIKey of 5-(2-amino-1-hydroxybutyl)-2-fluorophenol?
The InChIKey is KCKQNXAMQPNYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-2-8(12)10(14)6-3-4-7(11)9(13)5-6/h3-5,8,10,13-14H,2,12H2,1H3.
What are the key properties of 5-(2-amino-1-hydroxybutyl)-2-fluorophenol?
5-(2-amino-1-hydroxybutyl)-2-fluorophenol has a molecular weight of 199.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxybutyl)-2-fluorophenol is sourced from PubChem (CID 123621171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).