(3R)-3-fluorobutan-1-ol

C4H9FO — CID 54524325

IUPAC(3R)-3-fluorobutan-1-ol
SMILESC[C@@H](F)CCO
InChIInChI=1S/C4H9FO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3/t4-/m1/s1
InChIKeyYSAZHINBXCWZTE-SCSAIBSYSA-N
MW92.11 g/mol
LogP0.73
Rot. Bonds2

About (3R)-3-fluorobutan-1-ol

(3R)-3-fluorobutan-1-ol (PubChem CID 54524325) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is (3R)-3-fluorobutan-1-ol.

Molecular Properties

Compound Name(3R)-3-fluorobutan-1-ol
PubChem CID54524325
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Name(3R)-3-fluorobutan-1-ol
SMILESC[C@@H](F)CCO
InChIInChI=1S/C4H9FO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3/t4-/m1/s1
InChIKeyYSAZHINBXCWZTE-SCSAIBSYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.11
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluorobutan-1-ol?
The IUPAC name of (3R)-3-fluorobutan-1-ol (CID 54524325) is (3R)-3-fluorobutan-1-ol.
What is the SMILES notation for (3R)-3-fluorobutan-1-ol?
The canonical SMILES for (3R)-3-fluorobutan-1-ol is C[C@@H](F)CCO.
What is the InChIKey of (3R)-3-fluorobutan-1-ol?
The InChIKey is YSAZHINBXCWZTE-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9FO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-3-fluorobutan-1-ol?
(3R)-3-fluorobutan-1-ol has a molecular weight of 92.11 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluorobutan-1-ol is sourced from PubChem (CID 54524325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).