(2-cyclobutyl-3,4-difluorophenyl) formate

C11H10F2O2 — CID 177059742

IUPAC(2-cyclobutyl-3,4-difluorophenyl) formate
SMILESO=COc1ccc(F)c(F)c1C1CCC1
InChIInChI=1S/C11H10F2O2/c12-8-4-5-9(15-6-14)10(11(8)13)7-2-1-3-7/h4-7H,1-3H2
InChIKeyACLPWBADLBUOLD-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.77
Rot. Bonds3

About (2-cyclobutyl-3,4-difluorophenyl) formate

(2-cyclobutyl-3,4-difluorophenyl) formate (PubChem CID 177059742) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is (2-cyclobutyl-3,4-difluorophenyl) formate.

Molecular Properties

Compound Name(2-cyclobutyl-3,4-difluorophenyl) formate
PubChem CID177059742
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name(2-cyclobutyl-3,4-difluorophenyl) formate
SMILESO=COc1ccc(F)c(F)c1C1CCC1
InChIInChI=1S/C11H10F2O2/c12-8-4-5-9(15-6-14)10(11(8)13)7-2-1-3-7/h4-7H,1-3H2
InChIKeyACLPWBADLBUOLD-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.77
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

bis(2-cyclobutyl-3,4-difluorophenyl)methanone
CID 73011575
(2-cyclohexyl-3-ethylphenyl) formate
CID 173400153
3-cyclohexyl-1,2-difluoro-4-methylbenzene
CID 131994497
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
[(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate
CID 146215731
3-cyclopent-3-en-1-yl-1,2-difluoro-4-methoxybenzene
CID 142647860
(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 115807772
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
CID 142766285
bis(2-cyclobutyl-3,4,5-trifluorophenyl)methanone
CID 73011573
1-cyclopentyl-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282573
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-3,4-difluorophenyl) formate?
The IUPAC name of (2-cyclobutyl-3,4-difluorophenyl) formate (CID 177059742) is (2-cyclobutyl-3,4-difluorophenyl) formate.
What is the SMILES notation for (2-cyclobutyl-3,4-difluorophenyl) formate?
The canonical SMILES for (2-cyclobutyl-3,4-difluorophenyl) formate is O=COc1ccc(F)c(F)c1C1CCC1.
What is the InChIKey of (2-cyclobutyl-3,4-difluorophenyl) formate?
The InChIKey is ACLPWBADLBUOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-8-4-5-9(15-6-14)10(11(8)13)7-2-1-3-7/h4-7H,1-3H2.
What are the key properties of (2-cyclobutyl-3,4-difluorophenyl) formate?
(2-cyclobutyl-3,4-difluorophenyl) formate has a molecular weight of 212.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-3,4-difluorophenyl) formate is sourced from PubChem (CID 177059742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).