[(2R)-1,1,1-trifluoropropan-2-yl] formate

C4H5F3O2 — CID 87244754

IUPAC[(2R)-1,1,1-trifluoropropan-2-yl] formate
SMILESC[C@@H](OC=O)C(F)(F)F
InChIInChI=1S/C4H5F3O2/c1-3(9-2-8)4(5,6)7/h2-3H,1H3/t3-/m1/s1
InChIKeyOHPXFTAHPRUPFM-GSVOUGTGSA-N
MW142.08 g/mol
LogP1.11
Rot. Bonds2

About [(2R)-1,1,1-trifluoropropan-2-yl] formate

[(2R)-1,1,1-trifluoropropan-2-yl] formate (PubChem CID 87244754) has the molecular formula C4H5F3O2 and a molecular weight of 142.08 g/mol. Its IUPAC name is [(2R)-1,1,1-trifluoropropan-2-yl] formate.

Molecular Properties

Compound Name[(2R)-1,1,1-trifluoropropan-2-yl] formate
PubChem CID87244754
Molecular FormulaC4H5F3O2
Molecular Weight142.08 g/mol
Exact Mass142.02
IUPAC Name[(2R)-1,1,1-trifluoropropan-2-yl] formate
SMILESC[C@@H](OC=O)C(F)(F)F
InChIInChI=1S/C4H5F3O2/c1-3(9-2-8)4(5,6)7/h2-3H,1H3/t3-/m1/s1
InChIKeyOHPXFTAHPRUPFM-GSVOUGTGSA-N
XLogP1.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 51.11
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

2,2,3,3-Tetrafluoropropyl formate
CID 12839504
(3,3,3-Trifluoro-2-methylpropyl) formate
CID 17787416
1,3-Difluoropropan-2-yl formate
CID 17911631
3,3,3-Trifluoropropyl formate
CID 17911642
2,2-Difluoropropyl formate
CID 17911649
1,1,2,2-Tetrafluoropropyl formate
CID 20760911
1,1,1,3,3,3-Hexafluoropropan-2-yl formate
CID 54060866
4,4,4-Trifluorobutyl formate
CID 54129780
(2,2-Difluorocyclopropyl) formate
CID 56998384
(1,1,1-Trifluoro-2-methylpropan-2-yl) formate
CID 57445141
(3,3-Difluorocyclobutyl) formate
CID 87130107
1,1,1-Trifluoropropan-2-yl formate
CID 87202878

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,1,1-trifluoropropan-2-yl] formate?
The IUPAC name of [(2R)-1,1,1-trifluoropropan-2-yl] formate (CID 87244754) is [(2R)-1,1,1-trifluoropropan-2-yl] formate.
What is the SMILES notation for [(2R)-1,1,1-trifluoropropan-2-yl] formate?
The canonical SMILES for [(2R)-1,1,1-trifluoropropan-2-yl] formate is C[C@@H](OC=O)C(F)(F)F.
What is the InChIKey of [(2R)-1,1,1-trifluoropropan-2-yl] formate?
The InChIKey is OHPXFTAHPRUPFM-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H5F3O2/c1-3(9-2-8)4(5,6)7/h2-3H,1H3/t3-/m1/s1.
What are the key properties of [(2R)-1,1,1-trifluoropropan-2-yl] formate?
[(2R)-1,1,1-trifluoropropan-2-yl] formate has a molecular weight of 142.08 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,1,1-trifluoropropan-2-yl] formate is sourced from PubChem (CID 87244754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).