(2S,3S)-3-(2-fluoroanilino)butan-2-ol

C10H14FNO — CID 130631169

IUPAC(2S,3S)-3-(2-fluoroanilino)butan-2-ol
SMILESC[C@H](O)[C@H](C)Nc1ccccc1F
InChIInChI=1S/C10H14FNO/c1-7(8(2)13)12-10-6-4-3-5-9(10)11/h3-8,12-13H,1-2H3/t7-,8-/m0/s1
InChIKeyIRXAGMIWGKIHEH-YUMQZZPRSA-N
MW183.23 g/mol
LogP2.01
Rot. Bonds3

About (2S,3S)-3-(2-fluoroanilino)butan-2-ol

(2S,3S)-3-(2-fluoroanilino)butan-2-ol (PubChem CID 130631169) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (2S,3S)-3-(2-fluoroanilino)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(2-fluoroanilino)butan-2-ol
PubChem CID130631169
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(2S,3S)-3-(2-fluoroanilino)butan-2-ol
SMILESC[C@H](O)[C@H](C)Nc1ccccc1F
InChIInChI=1S/C10H14FNO/c1-7(8(2)13)12-10-6-4-3-5-9(10)11/h3-8,12-13H,1-2H3/t7-,8-/m0/s1
InChIKeyIRXAGMIWGKIHEH-YUMQZZPRSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2-fluoroanilino)butan-2-ol?
The IUPAC name of (2S,3S)-3-(2-fluoroanilino)butan-2-ol (CID 130631169) is (2S,3S)-3-(2-fluoroanilino)butan-2-ol.
What is the SMILES notation for (2S,3S)-3-(2-fluoroanilino)butan-2-ol?
The canonical SMILES for (2S,3S)-3-(2-fluoroanilino)butan-2-ol is C[C@H](O)[C@H](C)Nc1ccccc1F.
What is the InChIKey of (2S,3S)-3-(2-fluoroanilino)butan-2-ol?
The InChIKey is IRXAGMIWGKIHEH-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(8(2)13)12-10-6-4-3-5-9(10)11/h3-8,12-13H,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-(2-fluoroanilino)butan-2-ol?
(2S,3S)-3-(2-fluoroanilino)butan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2-fluoroanilino)butan-2-ol is sourced from PubChem (CID 130631169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).