4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride

C10H15ClFNO — CID 171198748

IUPAC4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
SMILESCCC[C@@H](N)c1ccc(O)c(F)c1.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-2-3-9(12)7-4-5-10(13)8(11)6-7;/h4-6,9,13H,2-3,12H2,1H3;1H/t9-;/m1./s1
InChIKeyIFKSJRDANVDOAH-SBSPUUFOSA-N
MW219.69 g/mol
LogP2.75
Rot. Bonds3

About 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride

4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride (PubChem CID 171198748) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
PubChem CID171198748
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC Name4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
SMILESCCC[C@@H](N)c1ccc(O)c(F)c1.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-2-3-9(12)7-4-5-10(13)8(11)6-7;/h4-6,9,13H,2-3,12H2,1H3;1H/t9-;/m1./s1
InChIKeyIFKSJRDANVDOAH-SBSPUUFOSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-fluorophenol;hydrochloride
CID 171198768
4-(1-aminobutyl)-2-(trifluoromethyl)phenol
CID 171922232
4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
CID 171198755
4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol
CID 131499575
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride (CID 171198748) is 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride is CCC[C@@H](N)c1ccc(O)c(F)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride?
The InChIKey is IFKSJRDANVDOAH-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14FNO.ClH/c1-2-3-9(12)7-4-5-10(13)8(11)6-7;/h4-6,9,13H,2-3,12H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride?
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride is sourced from PubChem (CID 171198748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).