(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol

C10H14FNO2 — CID 144615590

IUPAC(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol
SMILESNC(C[C@@H](O)CO)c1ccccc1F
InChIInChI=1S/C10H14FNO2/c11-9-4-2-1-3-8(9)10(12)5-7(14)6-13/h1-4,7,10,13-14H,5-6,12H2/t7-,10?/m1/s1
InChIKeyZLWMIMABYAPNDC-PVSHWOEXSA-N
MW199.22 g/mol
LogP0.57
Rot. Bonds4

About (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol

(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol (PubChem CID 144615590) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol
PubChem CID144615590
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol
SMILESNC(C[C@@H](O)CO)c1ccccc1F
InChIInChI=1S/C10H14FNO2/c11-9-4-2-1-3-8(9)10(12)5-7(14)6-13/h1-4,7,10,13-14H,5-6,12H2/t7-,10?/m1/s1
InChIKeyZLWMIMABYAPNDC-PVSHWOEXSA-N
XLogP0.57
TPSA66.48 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 ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830
(1S,3S)-3-amino-1-(2-fluorophenyl)butane-1,4-diol
CID 55263608
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
2-amino-2-(3-fluoro-2-iodophenyl)ethanol
CID 130043805
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
bis(2-fluorophenyl)methanol
CID 18424663
4-(2,3-difluorophenyl)hexane-1,2-diol
CID 83925548
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol?
The IUPAC name of (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol (CID 144615590) is (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol.
What is the SMILES notation for (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol?
The canonical SMILES for (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol is NC(C[C@@H](O)CO)c1ccccc1F.
What is the InChIKey of (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol?
The InChIKey is ZLWMIMABYAPNDC-PVSHWOEXSA-N. The full InChI is InChI=1S/C10H14FNO2/c11-9-4-2-1-3-8(9)10(12)5-7(14)6-13/h1-4,7,10,13-14H,5-6,12H2/t7-,10?/m1/s1.
What are the key properties of (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol?
(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol has a molecular weight of 199.22 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol is sourced from PubChem (CID 144615590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).