2-methylpropane;2,2,2-trifluoroethyl formate

C7H13F3O2 — CID 156841734

IUPAC2-methylpropane;2,2,2-trifluoroethyl formate
SMILESCC(C)C.O=COCC(F)(F)F
InChIInChI=1S/C4H10.C3H3F3O2/c1-4(2)3;4-3(5,6)1-8-2-7/h4H,1-3H3;2H,1H2
InChIKeyTVJRNOUQLPQPRD-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.38
Rot. Bonds2

About 2-methylpropane;2,2,2-trifluoroethyl formate

2-methylpropane;2,2,2-trifluoroethyl formate (PubChem CID 156841734) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-methylpropane;2,2,2-trifluoroethyl formate.

Molecular Properties

Compound Name2-methylpropane;2,2,2-trifluoroethyl formate
PubChem CID156841734
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name2-methylpropane;2,2,2-trifluoroethyl formate
SMILESCC(C)C.O=COCC(F)(F)F
InChIInChI=1S/C4H10.C3H3F3O2/c1-4(2)3;4-3(5,6)1-8-2-7/h4H,1-3H3;2H,1H2
InChIKeyTVJRNOUQLPQPRD-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2,2,2-trifluoroethyl formate?
The IUPAC name of 2-methylpropane;2,2,2-trifluoroethyl formate (CID 156841734) is 2-methylpropane;2,2,2-trifluoroethyl formate.
What is the SMILES notation for 2-methylpropane;2,2,2-trifluoroethyl formate?
The canonical SMILES for 2-methylpropane;2,2,2-trifluoroethyl formate is CC(C)C.O=COCC(F)(F)F.
What is the InChIKey of 2-methylpropane;2,2,2-trifluoroethyl formate?
The InChIKey is TVJRNOUQLPQPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H3F3O2/c1-4(2)3;4-3(5,6)1-8-2-7/h4H,1-3H3;2H,1H2.
What are the key properties of 2-methylpropane;2,2,2-trifluoroethyl formate?
2-methylpropane;2,2,2-trifluoroethyl formate has a molecular weight of 186.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2,2,2-trifluoroethyl formate is sourced from PubChem (CID 156841734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).