(1,1-difluoro-2-methylpropan-2-yl) formate

C5H8F2O2 — CID 143358524

IUPAC(1,1-difluoro-2-methylpropan-2-yl) formate
SMILESCC(C)(OC=O)C(F)F
InChIInChI=1S/C5H8F2O2/c1-5(2,4(6)7)9-3-8/h3-4H,1-2H3
InChIKeyIAMYHJJKMJSQBP-UHFFFAOYSA-N
MW138.11 g/mol
LogP1.20
Rot. Bonds3

About (1,1-difluoro-2-methylpropan-2-yl) formate

(1,1-difluoro-2-methylpropan-2-yl) formate (PubChem CID 143358524) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is (1,1-difluoro-2-methylpropan-2-yl) formate.

Molecular Properties

Compound Name(1,1-difluoro-2-methylpropan-2-yl) formate
PubChem CID143358524
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name(1,1-difluoro-2-methylpropan-2-yl) formate
SMILESCC(C)(OC=O)C(F)F
InChIInChI=1S/C5H8F2O2/c1-5(2,4(6)7)9-3-8/h3-4H,1-2H3
InChIKeyIAMYHJJKMJSQBP-UHFFFAOYSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl Formate
CID 61207
(2,2-Difluoro-1-methylcyclopropyl) formate
CID 57225552
(1,1,1-Trifluoro-2-methylpropan-2-yl) formate
CID 57445141
[1-(Trifluoromethyl)cyclopropyl] formate
CID 87139696
1,1-Difluoropropyl formate
CID 87480974
(1-Fluoro-2-methylpropan-2-yl) formate
CID 89998673
2-Methylpropane;2,2,2-trifluoroethyl formate
CID 156841734
(1,1,1-Trifluoro-2-methylbutan-2-yl) formate
CID 162773826
1,1,2-Trifluoropropyl formate
CID 173059931
4,4-Difluorobutan-2-yl formate
CID 173522906
Tert-butyl formate;hydron
CID 19009130
(1-Deuterio-2-methylpropan-2-yl) formate
CID 22837964

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2-methylpropan-2-yl) formate?
The IUPAC name of (1,1-difluoro-2-methylpropan-2-yl) formate (CID 143358524) is (1,1-difluoro-2-methylpropan-2-yl) formate.
What is the SMILES notation for (1,1-difluoro-2-methylpropan-2-yl) formate?
The canonical SMILES for (1,1-difluoro-2-methylpropan-2-yl) formate is CC(C)(OC=O)C(F)F.
What is the InChIKey of (1,1-difluoro-2-methylpropan-2-yl) formate?
The InChIKey is IAMYHJJKMJSQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c1-5(2,4(6)7)9-3-8/h3-4H,1-2H3.
What are the key properties of (1,1-difluoro-2-methylpropan-2-yl) formate?
(1,1-difluoro-2-methylpropan-2-yl) formate has a molecular weight of 138.11 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-methylpropan-2-yl) formate is sourced from PubChem (CID 143358524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).