4-fluoro-2,2-bis(trifluoromethyl)oxetane

C5H3F7O — CID 14144890

IUPAC4-fluoro-2,2-bis(trifluoromethyl)oxetane
SMILESFC1CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C5H3F7O/c6-2-1-3(13-2,4(7,8)9)5(10,11)12/h2H,1H2
InChIKeyWYTQJAIQMKQJAF-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.57
Rot. Bonds

About 4-fluoro-2,2-bis(trifluoromethyl)oxetane

4-fluoro-2,2-bis(trifluoromethyl)oxetane (PubChem CID 14144890) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 4-fluoro-2,2-bis(trifluoromethyl)oxetane.

Molecular Properties

Compound Name4-fluoro-2,2-bis(trifluoromethyl)oxetane
PubChem CID14144890
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name4-fluoro-2,2-bis(trifluoromethyl)oxetane
SMILESFC1CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C5H3F7O/c6-2-1-3(13-2,4(7,8)9)5(10,11)12/h2H,1H2
InChIKeyWYTQJAIQMKQJAF-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89385994
[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl] 2,2-dimethylbutanoate
CID 162610369
2-[difluoro(nitro)methyl]-4-ethoxy-2-(trifluoromethyl)oxetane
CID 131849618
[5,5-bis(trifluoromethyl)oxolan-2-yl] prop-2-enoate
CID 146492780
(3R)-3-propan-2-yl-2,2-bis(trifluoromethyl)oxirane
CID 59459127
2,2-bis(trifluoromethyl)-3H-furan
CID 59259642
2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane
CID 23417169
4-[2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 15008333
5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115020913
(2R,6R)-6-tert-butyl-2-chloro-4,4-bis(trifluoromethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 97291462
3,3-bis(trifluoromethyl)cyclobutan-1-amine
CID 50989714
[2-oxo-5,5-bis(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate
CID 58676266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-bis(trifluoromethyl)oxetane?
The IUPAC name of 4-fluoro-2,2-bis(trifluoromethyl)oxetane (CID 14144890) is 4-fluoro-2,2-bis(trifluoromethyl)oxetane.
What is the SMILES notation for 4-fluoro-2,2-bis(trifluoromethyl)oxetane?
The canonical SMILES for 4-fluoro-2,2-bis(trifluoromethyl)oxetane is FC1CC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-2,2-bis(trifluoromethyl)oxetane?
The InChIKey is WYTQJAIQMKQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c6-2-1-3(13-2,4(7,8)9)5(10,11)12/h2H,1H2.
What are the key properties of 4-fluoro-2,2-bis(trifluoromethyl)oxetane?
4-fluoro-2,2-bis(trifluoromethyl)oxetane has a molecular weight of 212.06 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-bis(trifluoromethyl)oxetane is sourced from PubChem (CID 14144890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).