(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H16F2O2 — CID 102648736

IUPAC(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2O2/c13-12(14)6-4-9(5-7-12)11(15)10-3-1-2-8-16-10/h3,9H,1-2,4-8H2
InChIKeyUOAUHDZVGLCFJT-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.08
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648736) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648736
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2O2/c13-12(14)6-4-9(5-7-12)11(15)10-3-1-2-8-16-10/h3,9H,1-2,4-8H2
InChIKeyUOAUHDZVGLCFJT-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
CID 118351383
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
(E)-4-cyclohexyl-3-methoxy-4-oxobut-2-enal
CID 102055870
3,4-dihydro-2H-pyran-6-yl-[(5R)-5-prop-1-en-2-ylcyclohexen-1-yl]methanone
CID 135078289
2-(Trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
CID 15311287
2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one
CID 102411975
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102648613
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102648650
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102648665
2,3-Dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102652747
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102652786
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102652806

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648736) is (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is UOAUHDZVGLCFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c13-12(14)6-4-9(5-7-12)11(15)10-3-1-2-8-16-10/h3,9H,1-2,4-8H2.
What are the key properties of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 230.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).