(3S)-3-(fluoromethyl)-4-hydroxybutanamide

C5H10FNO2 — CID 141199180

IUPAC(3S)-3-(fluoromethyl)-4-hydroxybutanamide
SMILESNC(=O)C[C@@H](CO)CF
InChIInChI=1S/C5H10FNO2/c6-2-4(3-8)1-5(7)9/h4,8H,1-3H2,(H2,7,9)/t4-/m1/s1
InChIKeyHVNKSZUYQCQVDM-SCSAIBSYSA-N
MW135.14 g/mol
LogP-0.56
Rot. Bonds4

About (3S)-3-(fluoromethyl)-4-hydroxybutanamide

(3S)-3-(fluoromethyl)-4-hydroxybutanamide (PubChem CID 141199180) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is (3S)-3-(fluoromethyl)-4-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-3-(fluoromethyl)-4-hydroxybutanamide
PubChem CID141199180
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name(3S)-3-(fluoromethyl)-4-hydroxybutanamide
SMILESNC(=O)C[C@@H](CO)CF
InChIInChI=1S/C5H10FNO2/c6-2-4(3-8)1-5(7)9/h4,8H,1-3H2,(H2,7,9)/t4-/m1/s1
InChIKeyHVNKSZUYQCQVDM-SCSAIBSYSA-N
XLogP-0.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(fluoromethyl)-4-hydroxybutanamide?
The IUPAC name of (3S)-3-(fluoromethyl)-4-hydroxybutanamide (CID 141199180) is (3S)-3-(fluoromethyl)-4-hydroxybutanamide.
What is the SMILES notation for (3S)-3-(fluoromethyl)-4-hydroxybutanamide?
The canonical SMILES for (3S)-3-(fluoromethyl)-4-hydroxybutanamide is NC(=O)C[C@@H](CO)CF.
What is the InChIKey of (3S)-3-(fluoromethyl)-4-hydroxybutanamide?
The InChIKey is HVNKSZUYQCQVDM-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10FNO2/c6-2-4(3-8)1-5(7)9/h4,8H,1-3H2,(H2,7,9)/t4-/m1/s1.
What are the key properties of (3S)-3-(fluoromethyl)-4-hydroxybutanamide?
(3S)-3-(fluoromethyl)-4-hydroxybutanamide has a molecular weight of 135.14 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(fluoromethyl)-4-hydroxybutanamide is sourced from PubChem (CID 141199180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).