(3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone

C9H10F2O2 — CID 130920810

IUPAC(3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CC(F)(F)C1
InChIInChI=1S/C9H10F2O2/c10-9(11)4-6(5-9)8(12)7-2-1-3-13-7/h2,6H,1,3-5H2
InChIKeyNBRAWHYPYJXQAC-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.90
Rot. Bonds2

About (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone

(3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 130920810) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone
PubChem CID130920810
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name(3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CC(F)(F)C1
InChIInChI=1S/C9H10F2O2/c10-9(11)4-6(5-9)8(12)7-2-1-3-13-7/h2,6H,1,3-5H2
InChIKeyNBRAWHYPYJXQAC-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,2-Difluoroacetyl)-2-ethoxycyclohex-2-en-1-one
CID 89350718
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652879
(3,3-Difluorocyclopentyl)-(2,3-dihydrofuran-5-yl)methanone
CID 130484849
(3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 130484861
cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646884
Cyclobutyl(2,3-dihydrofuran-5-yl)methanone
CID 102650952
2,3-Dihydrofuran-5-yl-(1-methoxycyclobutyl)methanone
CID 102651113
1-(2,3-Dihydrofuran-5-yl)-2-methylpentan-1-one
CID 102652813
1-(2,3-Dihydrofuran-5-yl)-3-methylpentan-1-one
CID 102652869
2-Cyclobutyl-1-(2,3-dihydrofuran-5-yl)ethanone
CID 103168172

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone (CID 130920810) is (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is NBRAWHYPYJXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c10-9(11)4-6(5-9)8(12)7-2-1-3-13-7/h2,6H,1,3-5H2.
What are the key properties of (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone?
(3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 188.17 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 130920810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).