(1-methylcyclobutyl) 2,2-difluoroacetate

C7H10F2O2 — CID 126988415

IUPAC(1-methylcyclobutyl) 2,2-difluoroacetate
SMILESCC1(OC(=O)C(F)F)CCC1
InChIInChI=1S/C7H10F2O2/c1-7(3-2-4-7)11-6(10)5(8)9/h5H,2-4H2,1H3
InChIKeyPAJQFLMECJCPAF-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.74
Rot. Bonds2

About (1-methylcyclobutyl) 2,2-difluoroacetate

(1-methylcyclobutyl) 2,2-difluoroacetate (PubChem CID 126988415) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is (1-methylcyclobutyl) 2,2-difluoroacetate.

Molecular Properties

Compound Name(1-methylcyclobutyl) 2,2-difluoroacetate
PubChem CID126988415
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name(1-methylcyclobutyl) 2,2-difluoroacetate
SMILESCC1(OC(=O)C(F)F)CCC1
InChIInChI=1S/C7H10F2O2/c1-7(3-2-4-7)11-6(10)5(8)9/h5H,2-4H2,1H3
InChIKeyPAJQFLMECJCPAF-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl) 2,2-difluoroacetate?
The IUPAC name of (1-methylcyclobutyl) 2,2-difluoroacetate (CID 126988415) is (1-methylcyclobutyl) 2,2-difluoroacetate.
What is the SMILES notation for (1-methylcyclobutyl) 2,2-difluoroacetate?
The canonical SMILES for (1-methylcyclobutyl) 2,2-difluoroacetate is CC1(OC(=O)C(F)F)CCC1.
What is the InChIKey of (1-methylcyclobutyl) 2,2-difluoroacetate?
The InChIKey is PAJQFLMECJCPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-7(3-2-4-7)11-6(10)5(8)9/h5H,2-4H2,1H3.
What are the key properties of (1-methylcyclobutyl) 2,2-difluoroacetate?
(1-methylcyclobutyl) 2,2-difluoroacetate has a molecular weight of 164.15 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl) 2,2-difluoroacetate is sourced from PubChem (CID 126988415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).