(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol

C9H17FO3 — CID 59203438

IUPAC(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol
SMILESCC1(C)OCC([C@H](O)C(C)(C)F)O1
InChIInChI=1S/C9H17FO3/c1-8(2,10)7(11)6-5-12-9(3,4)13-6/h6-7,11H,5H2,1-4H3/t6?,7-/m0/s1
InChIKeyZQGGQQSUADOJJG-MLWJPKLSSA-N
MW192.23 g/mol
LogP1.25
Rot. Bonds2

About (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol

(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol (PubChem CID 59203438) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol
PubChem CID59203438
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Name(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol
SMILESCC1(C)OCC([C@H](O)C(C)(C)F)O1
InChIInChI=1S/C9H17FO3/c1-8(2,10)7(11)6-5-12-9(3,4)13-6/h6-7,11H,5H2,1-4H3/t6?,7-/m0/s1
InChIKeyZQGGQQSUADOJJG-MLWJPKLSSA-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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol (CID 59203438) is (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol is CC1(C)OCC([C@H](O)C(C)(C)F)O1.
What is the InChIKey of (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol?
The InChIKey is ZQGGQQSUADOJJG-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H17FO3/c1-8(2,10)7(11)6-5-12-9(3,4)13-6/h6-7,11H,5H2,1-4H3/t6?,7-/m0/s1.
What are the key properties of (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol?
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol 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 (1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropan-1-ol is sourced from PubChem (CID 59203438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).