(2,6-difluorophenyl) cyclopropanecarboxylate

C10H8F2O2 — CID 175366528

IUPAC(2,6-difluorophenyl) cyclopropanecarboxylate
SMILESO=C(Oc1c(F)cccc1F)C1CC1
InChIInChI=1S/C10H8F2O2/c11-7-2-1-3-8(12)9(7)14-10(13)6-4-5-6/h1-3,6H,4-5H2
InChIKeyZGJUNTNODKRPNJ-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.28
Rot. Bonds2

About (2,6-difluorophenyl) cyclopropanecarboxylate

(2,6-difluorophenyl) cyclopropanecarboxylate (PubChem CID 175366528) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is (2,6-difluorophenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(2,6-difluorophenyl) cyclopropanecarboxylate
PubChem CID175366528
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(2,6-difluorophenyl) cyclopropanecarboxylate
SMILESO=C(Oc1c(F)cccc1F)C1CC1
InChIInChI=1S/C10H8F2O2/c11-7-2-1-3-8(12)9(7)14-10(13)6-4-5-6/h1-3,6H,4-5H2
InChIKeyZGJUNTNODKRPNJ-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluorophenyl) 4-(4-hydroxycyclohexyl)cyclohexane-1-carboxylate
CID 129138320
(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
CID 139638411
(5-fluoronaphthalen-2-yl) 4-[(E)-prop-1-enyl]cyclohexane-1-carboxylate
CID 139854635
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
(2,4,6-trifluorophenyl) 1-oxidopiperidine-4-carboxylate
CID 175870915
(2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate
CID 145241996
1,2-oxazol-5-yl cyclopropanecarboxylate
CID 142549208
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694
(3-aminophenyl) cyclopropanecarboxylate
CID 175156666
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]phenyl] cyclopropanecarboxylate
CID 168599708
[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid
CID 174763005

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl) cyclopropanecarboxylate?
The IUPAC name of (2,6-difluorophenyl) cyclopropanecarboxylate (CID 175366528) is (2,6-difluorophenyl) cyclopropanecarboxylate.
What is the SMILES notation for (2,6-difluorophenyl) cyclopropanecarboxylate?
The canonical SMILES for (2,6-difluorophenyl) cyclopropanecarboxylate is O=C(Oc1c(F)cccc1F)C1CC1.
What is the InChIKey of (2,6-difluorophenyl) cyclopropanecarboxylate?
The InChIKey is ZGJUNTNODKRPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-7-2-1-3-8(12)9(7)14-10(13)6-4-5-6/h1-3,6H,4-5H2.
What are the key properties of (2,6-difluorophenyl) cyclopropanecarboxylate?
(2,6-difluorophenyl) cyclopropanecarboxylate has a molecular weight of 198.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl) cyclopropanecarboxylate is sourced from PubChem (CID 175366528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).