1-(4,4-difluorocyclohexyl)propan-1-one;ethane

C13H26F2O — CID 142910705

IUPAC1-(4,4-difluorocyclohexyl)propan-1-one;ethane
SMILESCC.CC.CCC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O.2C2H6/c1-2-8(12)7-3-5-9(10,11)6-4-7;2*1-2/h7H,2-6H2,1H3;2*1-2H3
InChIKeyUITRFWYUXGYHMX-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.84
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)propan-1-one;ethane

1-(4,4-difluorocyclohexyl)propan-1-one;ethane (PubChem CID 142910705) has the molecular formula C13H26F2O and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)propan-1-one;ethane
PubChem CID142910705
Molecular FormulaC13H26F2O
Molecular Weight236.35 g/mol
Exact Mass236.20
IUPAC Name1-(4,4-difluorocyclohexyl)propan-1-one;ethane
SMILESCC.CC.CCC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O.2C2H6/c1-2-8(12)7-3-5-9(10,11)6-4-7;2*1-2/h7H,2-6H2,1H3;2*1-2H3
InChIKeyUITRFWYUXGYHMX-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-sec-Butyl cyclohexanone
CID 61771
4-Propylcyclohexanone
CID 142482
Cyclohexyl methyl ketone
CID 13207
2-Ethylcyclohexanone
CID 20474
Cyclohexanone, 2-propyl-
CID 7199
2-Isopropylcyclohexan-1-one
CID 70490
1-Cyclohexylpropan-1-one
CID 70748
1-Cyclohexylbutan-1-one
CID 73832
3-(Propan-2-yl)cyclohexan-1-one
CID 530253
4-Cyclohexylbutan-2-one
CID 536973
Cyclohexylacetone
CID 66899
4-Butylcyclohexanone
CID 543708

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)propan-1-one;ethane?
The IUPAC name of 1-(4,4-difluorocyclohexyl)propan-1-one;ethane (CID 142910705) is 1-(4,4-difluorocyclohexyl)propan-1-one;ethane.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)propan-1-one;ethane?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)propan-1-one;ethane is CC.CC.CCC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)propan-1-one;ethane?
The InChIKey is UITRFWYUXGYHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O.2C2H6/c1-2-8(12)7-3-5-9(10,11)6-4-7;2*1-2/h7H,2-6H2,1H3;2*1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)propan-1-one;ethane?
1-(4,4-difluorocyclohexyl)propan-1-one;ethane has a molecular weight of 236.35 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)propan-1-one;ethane is sourced from PubChem (CID 142910705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).