(2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol

C8H13F3O4 — CID 173017765

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol
SMILESCC1(C)OCC(C(O)OCC(F)(F)F)O1
InChIInChI=1S/C8H13F3O4/c1-7(2)14-3-5(15-7)6(12)13-4-8(9,10)11/h5-6,12H,3-4H2,1-2H3
InChIKeyLXCNVFQFBGBCPG-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.04
Rot. Bonds3

About (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol

(2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol (PubChem CID 173017765) has the molecular formula C8H13F3O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol
PubChem CID173017765
Molecular FormulaC8H13F3O4
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol
SMILESCC1(C)OCC(C(O)OCC(F)(F)F)O1
InChIInChI=1S/C8H13F3O4/c1-7(2)14-3-5(15-7)6(12)13-4-8(9,10)11/h5-6,12H,3-4H2,1-2H3
InChIKeyLXCNVFQFBGBCPG-UHFFFAOYSA-N
XLogP1.04
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 13477298
3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanoic acid
CID 70971511
(1R)-2,2,2-trichloro-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 59052003
sodium 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 142696883
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
S-tert-butyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanethioate
CID 134990555
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
ethyl (2S,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-2-methylpropanoate
CID 162368058
2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoic acid
CID 175078711
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646
4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane
CID 130925842

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol (CID 173017765) is (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol is CC1(C)OCC(C(O)OCC(F)(F)F)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol?
The InChIKey is LXCNVFQFBGBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O4/c1-7(2)14-3-5(15-7)6(12)13-4-8(9,10)11/h5-6,12H,3-4H2,1-2H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol?
(2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol has a molecular weight of 230.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)-(2,2,2-trifluoroethoxy)methanol is sourced from PubChem (CID 173017765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).