[(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C9H17FO3 — CID 90859226

IUPAC[(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](C(C)(C)F)[C@@H](CO)O1
InChIInChI=1S/C9H17FO3/c1-8(2,10)7-6(5-11)12-9(3,4)13-7/h6-7,11H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyVEKMKSIMJAANCZ-RNFRBKRXSA-N
MW192.23 g/mol
LogP1.25
Rot. Bonds2

About [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 90859226) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID90859226
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Name[(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](C(C)(C)F)[C@@H](CO)O1
InChIInChI=1S/C9H17FO3/c1-8(2,10)7-6(5-11)12-9(3,4)13-7/h6-7,11H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyVEKMKSIMJAANCZ-RNFRBKRXSA-N
XLogP1.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 90859226) is [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H](C(C)(C)F)[C@@H](CO)O1.
What is the InChIKey of [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is VEKMKSIMJAANCZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H17FO3/c1-8(2,10)7-6(5-11)12-9(3,4)13-7/h6-7,11H,5H2,1-4H3/t6-,7-/m1/s1.
What are the key properties of [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 192.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 90859226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).