(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone

C11H14F2O2 — CID 130579792

IUPAC(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone
SMILESO=C(C1=COCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H14F2O2/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h7-8H,1-6H2
InChIKeyJIVGKLFQPZZZPO-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.69
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone

(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone (PubChem CID 130579792) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone
PubChem CID130579792
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone
SMILESO=C(C1=COCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H14F2O2/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h7-8H,1-6H2
InChIKeyJIVGKLFQPZZZPO-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105127365
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389
3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105127417
Cyclopentyl(2,3-dihydrofuran-4-yl)methanone
CID 130579207
2,3-Dihydrofuran-4-yl-(4-methylcyclohexyl)methanone
CID 130579220
2,3-Dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone
CID 130579264
6-Bicyclo[3.1.0]hexanyl(2,3-dihydrofuran-4-yl)methanone
CID 130579879

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone (CID 130579792) is (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone is O=C(C1=COCC1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone?
The InChIKey is JIVGKLFQPZZZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h7-8H,1-6H2.
What are the key properties of (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone?
(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone has a molecular weight of 216.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone is sourced from PubChem (CID 130579792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).