(2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate

C10H5F7O2 — CID 91713003

IUPAC(2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCc1cc(F)ccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F7O2/c11-6-1-2-7(12)5(3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2
InChIKeyZMNCJGSVTSBYQN-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.21
Rot. Bonds3

About (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate

(2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91713003) has the molecular formula C10H5F7O2 and a molecular weight of 290.13 g/mol. Its IUPAC name is (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name(2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91713003
Molecular FormulaC10H5F7O2
Molecular Weight290.13 g/mol
Exact Mass290.02
IUPAC Name(2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCc1cc(F)ccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F7O2/c11-6-1-2-7(12)5(3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2
InChIKeyZMNCJGSVTSBYQN-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)methyl carbonochloridate
CID 83820147
(2-fluoro-5-nitrophenyl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91721513
(2,5-difluorophenyl)methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 19360584
(2-bromo-5-fluorophenyl)methyl 2,2,2-trifluoroacetate
CID 91735693
(2,4-difluorophenyl) 2,2,3,3,3-pentafluoropropanoate
CID 88574356
2-(2,5-difluorophenyl)acetamide
CID 21245498
1-O-butyl 4-O-[(2,5-difluorophenyl)methyl] butanedioate
CID 91702376
3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238
(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 91717601
(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69140938
4-O-[(2,5-difluorophenyl)methyl] 1-O-hexadecyl butanedioate
CID 91712941

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate (CID 91713003) is (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate is O=C(OCc1cc(F)ccc1F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is ZMNCJGSVTSBYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7O2/c11-6-1-2-7(12)5(3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2.
What are the key properties of (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate?
(2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 290.13 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91713003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).