2-chloro-2-(3,3,3-trifluoropropyl)oxane

C8H12ClF3O — CID 175285507

IUPAC2-chloro-2-(3,3,3-trifluoropropyl)oxane
SMILESFC(F)(F)CCC1(Cl)CCCCO1
InChIInChI=1S/C8H12ClF3O/c9-7(3-1-2-6-13-7)4-5-8(10,11)12/h1-6H2
InChIKeyNONFGMAUIMKRCQ-UHFFFAOYSA-N
MW216.63 g/mol
LogP3.46
Rot. Bonds2

About 2-chloro-2-(3,3,3-trifluoropropyl)oxane

2-chloro-2-(3,3,3-trifluoropropyl)oxane (PubChem CID 175285507) has the molecular formula C8H12ClF3O and a molecular weight of 216.63 g/mol. Its IUPAC name is 2-chloro-2-(3,3,3-trifluoropropyl)oxane.

Molecular Properties

Compound Name2-chloro-2-(3,3,3-trifluoropropyl)oxane
PubChem CID175285507
Molecular FormulaC8H12ClF3O
Molecular Weight216.63 g/mol
Exact Mass216.05
IUPAC Name2-chloro-2-(3,3,3-trifluoropropyl)oxane
SMILESFC(F)(F)CCC1(Cl)CCCCO1
InChIInChI=1S/C8H12ClF3O/c9-7(3-1-2-6-13-7)4-5-8(10,11)12/h1-6H2
InChIKeyNONFGMAUIMKRCQ-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-chlorooxan-2-yl)silane
CID 123341870
2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane
CID 131010257
methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane
CID 173269411
dimethyl-[2-[[2-(3,3,3-trifluoropropylsilyl)oxan-2-yl]methyl]oxan-2-yl]silane
CID 123506086
2-propan-2-yl-2-(3,3,3-trifluoropropyl)azepane
CID 79117029
methyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 174774289
2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol
CID 162570891
[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
CID 173177427
4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
CID 115513806
propyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 173308230
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
4-fluoro-4-(3,3,3-trifluoropropyl)piperidine
CID 112563135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3,3,3-trifluoropropyl)oxane?
The IUPAC name of 2-chloro-2-(3,3,3-trifluoropropyl)oxane (CID 175285507) is 2-chloro-2-(3,3,3-trifluoropropyl)oxane.
What is the SMILES notation for 2-chloro-2-(3,3,3-trifluoropropyl)oxane?
The canonical SMILES for 2-chloro-2-(3,3,3-trifluoropropyl)oxane is FC(F)(F)CCC1(Cl)CCCCO1.
What is the InChIKey of 2-chloro-2-(3,3,3-trifluoropropyl)oxane?
The InChIKey is NONFGMAUIMKRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3O/c9-7(3-1-2-6-13-7)4-5-8(10,11)12/h1-6H2.
What are the key properties of 2-chloro-2-(3,3,3-trifluoropropyl)oxane?
2-chloro-2-(3,3,3-trifluoropropyl)oxane has a molecular weight of 216.63 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3,3,3-trifluoropropyl)oxane is sourced from PubChem (CID 175285507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).