2-(3,3-difluorobutoxy)propan-2-yl formate

C8H14F2O3 — CID 140677265

IUPAC2-(3,3-difluorobutoxy)propan-2-yl formate
SMILESCC(F)(F)CCOC(C)(C)OC=O
InChIInChI=1S/C8H14F2O3/c1-7(2,13-6-11)12-5-4-8(3,9)10/h6H,4-5H2,1-3H3
InChIKeyWOKLILYDTSDCNT-UHFFFAOYSA-N
MW196.19 g/mol
LogP1.96
Rot. Bonds6

About 2-(3,3-difluorobutoxy)propan-2-yl formate

2-(3,3-difluorobutoxy)propan-2-yl formate (PubChem CID 140677265) has the molecular formula C8H14F2O3 and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-(3,3-difluorobutoxy)propan-2-yl formate.

Molecular Properties

Compound Name2-(3,3-difluorobutoxy)propan-2-yl formate
PubChem CID140677265
Molecular FormulaC8H14F2O3
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC Name2-(3,3-difluorobutoxy)propan-2-yl formate
SMILESCC(F)(F)CCOC(C)(C)OC=O
InChIInChI=1S/C8H14F2O3/c1-7(2,13-6-11)12-5-4-8(3,9)10/h6H,4-5H2,1-3H3
InChIKeyWOKLILYDTSDCNT-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate
CID 167154058
(1,1,1-trifluoro-2-methylbutan-2-yl) formate
CID 162773826
3,3-difluorobutyl prop-2-enoate
CID 139844098
(3-amino-1,1,1-trifluoro-2-methylpropan-2-yl) formate
CID 175191591
3,3-difluorobutyl 2,2-dimethylpropanoate
CID 58568306
1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane
CID 175614014
tert-butyl formate;1,2-dimethoxyethane
CID 174865662
3,3-difluoro-1-propoxybutane
CID 118261285
tert-butyl formate;ethane
CID 175326717
2-(3,3-difluorobutoxy)propanoic acid
CID 84658279
[1-carboniodidoyloxy-1-(3,3-difluorobutoxy)-2,2,2-trifluoroethyl] acetate
CID 148534487
[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] formate
CID 89451216

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorobutoxy)propan-2-yl formate?
The IUPAC name of 2-(3,3-difluorobutoxy)propan-2-yl formate (CID 140677265) is 2-(3,3-difluorobutoxy)propan-2-yl formate.
What is the SMILES notation for 2-(3,3-difluorobutoxy)propan-2-yl formate?
The canonical SMILES for 2-(3,3-difluorobutoxy)propan-2-yl formate is CC(F)(F)CCOC(C)(C)OC=O.
What is the InChIKey of 2-(3,3-difluorobutoxy)propan-2-yl formate?
The InChIKey is WOKLILYDTSDCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O3/c1-7(2,13-6-11)12-5-4-8(3,9)10/h6H,4-5H2,1-3H3.
What are the key properties of 2-(3,3-difluorobutoxy)propan-2-yl formate?
2-(3,3-difluorobutoxy)propan-2-yl formate has a molecular weight of 196.19 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorobutoxy)propan-2-yl formate is sourced from PubChem (CID 140677265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).