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

C11H14F2O2 — CID 130484861

IUPAC(3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCC(F)(F)C1
InChIInChI=1S/C11H14F2O2/c12-11(13)5-4-8(7-11)10(14)9-3-1-2-6-15-9/h3,8H,1-2,4-7H2
InChIKeyCTEXGRSWZUFWGY-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.69
Rot. Bonds2

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

(3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 130484861) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID130484861
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCC(F)(F)C1
InChIInChI=1S/C11H14F2O2/c12-11(13)5-4-8(7-11)10(14)9-3-1-2-6-15-9/h3,8H,1-2,4-7H2
InChIKeyCTEXGRSWZUFWGY-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

6-(2,2-Difluoroacetyl)-2-ethoxycyclohex-2-en-1-one
CID 89350718
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
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648736
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
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652879
(3,3-Difluorocyclopentyl)-(2,3-dihydrofuran-5-yl)methanone
CID 130484849
(3,3-Difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone
CID 130920810
Asperterrein
CID 145720735

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 130484861) is (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is CTEXGRSWZUFWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c12-11(13)5-4-8(7-11)10(14)9-3-1-2-6-15-9/h3,8H,1-2,4-7H2.
What are the key properties of (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-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 (3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 130484861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).