(3R)-4,4,4-trifluorobutane-1,3-diol

C4H7F3O2 — CID 2779068

IUPAC(3R)-4,4,4-trifluorobutane-1,3-diol
SMILESOCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C4H7F3O2/c5-4(6,7)3(9)1-2-8/h3,8-9H,1-2H2/t3-/m1/s1
InChIKeySCLIIHMYYAHRGK-GSVOUGTGSA-N
MW144.09 g/mol
LogP0.29
Rot. Bonds2

About (3R)-4,4,4-trifluorobutane-1,3-diol

(3R)-4,4,4-trifluorobutane-1,3-diol (PubChem CID 2779068) has the molecular formula C4H7F3O2 and a molecular weight of 144.09 g/mol. Its IUPAC name is (3R)-4,4,4-trifluorobutane-1,3-diol.

Molecular Properties

Compound Name(3R)-4,4,4-trifluorobutane-1,3-diol
PubChem CID2779068
Molecular FormulaC4H7F3O2
Molecular Weight144.09 g/mol
Exact Mass144.04
IUPAC Name(3R)-4,4,4-trifluorobutane-1,3-diol
SMILESOCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C4H7F3O2/c5-4(6,7)3(9)1-2-8/h3,8-9H,1-2H2/t3-/m1/s1
InChIKeySCLIIHMYYAHRGK-GSVOUGTGSA-N
XLogP0.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-4,4,4-trifluorobutane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-Trifluoro-1,3-butanediol
CID 5231717
3,3-Difluorocyclobutanol
CID 22500954
4,4,5,5,5-Pentafluoropentane-1,3-diol
CID 14242145
1,3-Butanediol, 4,4,4-trifluoro-, (S)-
CID 10307869
4,4,4-Trifluorobutane-1,2-diol
CID 17763203
1,1,1-Trifluoro-4-methoxybutan-2-ol
CID 23297272
3-(Difluoromethoxy)cyclobutanol
CID 131455676
2,2-Difluorocyclobutan-1-ol
CID 131518457
Rac-(1s,3s)-3-(trifluoromethoxy)cyclobutan-1-ol
CID 137528106
1,1,1,5,5,5-Hexafluoro-2,4-pentanediol
CID 4961402
1,1,1,5,5-Pentafluoropentane-2,4-diol
CID 5231718
1,1,1-Trifluoropentane-2,4-diol
CID 5259803

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluorobutane-1,3-diol?
The IUPAC name of (3R)-4,4,4-trifluorobutane-1,3-diol (CID 2779068) is (3R)-4,4,4-trifluorobutane-1,3-diol.
What is the SMILES notation for (3R)-4,4,4-trifluorobutane-1,3-diol?
The canonical SMILES for (3R)-4,4,4-trifluorobutane-1,3-diol is OCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (3R)-4,4,4-trifluorobutane-1,3-diol?
The InChIKey is SCLIIHMYYAHRGK-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H7F3O2/c5-4(6,7)3(9)1-2-8/h3,8-9H,1-2H2/t3-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluorobutane-1,3-diol?
(3R)-4,4,4-trifluorobutane-1,3-diol has a molecular weight of 144.09 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluorobutane-1,3-diol is sourced from PubChem (CID 2779068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).