[2,5-bis(trifluoromethoxy)phenyl]methyl formate

C10H6F6O4 — CID 87851559

IUPAC[2,5-bis(trifluoromethoxy)phenyl]methyl formate
SMILESO=COCc1cc(OC(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C10H6F6O4/c11-9(12,13)19-7-1-2-8(20-10(14,15)16)6(3-7)4-18-5-17/h1-3,5H,4H2
InChIKeyMFNYANSUGDWBJW-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.16
Rot. Bonds5

About [2,5-bis(trifluoromethoxy)phenyl]methyl formate

[2,5-bis(trifluoromethoxy)phenyl]methyl formate (PubChem CID 87851559) has the molecular formula C10H6F6O4 and a molecular weight of 304.14 g/mol. Its IUPAC name is [2,5-bis(trifluoromethoxy)phenyl]methyl formate.

Molecular Properties

Compound Name[2,5-bis(trifluoromethoxy)phenyl]methyl formate
PubChem CID87851559
Molecular FormulaC10H6F6O4
Molecular Weight304.14 g/mol
Exact Mass304.02
IUPAC Name[2,5-bis(trifluoromethoxy)phenyl]methyl formate
SMILESO=COCc1cc(OC(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C10H6F6O4/c11-9(12,13)19-7-1-2-8(20-10(14,15)16)6(3-7)4-18-5-17/h1-3,5H,4H2
InChIKeyMFNYANSUGDWBJW-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2,5-bis(trifluoromethoxy)phenyl]propanal
CID 166641134
[5-(trifluoromethoxy)cyclopenta[c]thiopyran-7-yl]methyl formate
CID 87852252
3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
CID 134621524
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
2-[2-(trifluoromethoxy)phenyl]ethyl formate
CID 87333917
2-(bromomethyl)-4-(trifluoromethoxy)benzaldehyde
CID 170997735
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
3-[2-bromo-5-(trifluoromethoxy)phenyl]propanal
CID 134621395
2-(bromomethyl)-4-(difluoromethoxy)-1-(trifluoromethoxy)benzene
CID 170997723
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
CID 175457574
CID 175457574
methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998049

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(trifluoromethoxy)phenyl]methyl formate?
The IUPAC name of [2,5-bis(trifluoromethoxy)phenyl]methyl formate (CID 87851559) is [2,5-bis(trifluoromethoxy)phenyl]methyl formate.
What is the SMILES notation for [2,5-bis(trifluoromethoxy)phenyl]methyl formate?
The canonical SMILES for [2,5-bis(trifluoromethoxy)phenyl]methyl formate is O=COCc1cc(OC(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of [2,5-bis(trifluoromethoxy)phenyl]methyl formate?
The InChIKey is MFNYANSUGDWBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O4/c11-9(12,13)19-7-1-2-8(20-10(14,15)16)6(3-7)4-18-5-17/h1-3,5H,4H2.
What are the key properties of [2,5-bis(trifluoromethoxy)phenyl]methyl formate?
[2,5-bis(trifluoromethoxy)phenyl]methyl formate has a molecular weight of 304.14 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(trifluoromethoxy)phenyl]methyl formate is sourced from PubChem (CID 87851559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).