4-propan-2-yl-2-(trifluoromethyl)oxane

C9H15F3O — CID 137391799

IUPAC4-propan-2-yl-2-(trifluoromethyl)oxane
SMILESCC(C)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C9H15F3O/c1-6(2)7-3-4-13-8(5-7)9(10,11)12/h6-8H,3-5H2,1-2H3
InChIKeyAMPHGMGMUXONRF-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.00
Rot. Bonds1

About 4-propan-2-yl-2-(trifluoromethyl)oxane

4-propan-2-yl-2-(trifluoromethyl)oxane (PubChem CID 137391799) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-propan-2-yl-2-(trifluoromethyl)oxane.

Molecular Properties

Compound Name4-propan-2-yl-2-(trifluoromethyl)oxane
PubChem CID137391799
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name4-propan-2-yl-2-(trifluoromethyl)oxane
SMILESCC(C)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C9H15F3O/c1-6(2)7-3-4-13-8(5-7)9(10,11)12/h6-8H,3-5H2,1-2H3
InChIKeyAMPHGMGMUXONRF-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)oxane?
The IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)oxane (CID 137391799) is 4-propan-2-yl-2-(trifluoromethyl)oxane.
What is the SMILES notation for 4-propan-2-yl-2-(trifluoromethyl)oxane?
The canonical SMILES for 4-propan-2-yl-2-(trifluoromethyl)oxane is CC(C)C1CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-propan-2-yl-2-(trifluoromethyl)oxane?
The InChIKey is AMPHGMGMUXONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-6(2)7-3-4-13-8(5-7)9(10,11)12/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(trifluoromethyl)oxane?
4-propan-2-yl-2-(trifluoromethyl)oxane has a molecular weight of 196.21 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(trifluoromethyl)oxane is sourced from PubChem (CID 137391799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).