cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone

C11H15F3O — CID 105107408

IUPACcyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H15F3O/c12-11(13,14)9-4-2-1-3-8(9)10(15)7-5-6-7/h7-9H,1-6H2
InChIKeyVPPKYYKMBVWUST-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.33
Rot. Bonds2

About cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone

cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105107408) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105107408
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Namecyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H15F3O/c12-11(13,14)9-4-2-1-3-8(9)10(15)7-5-6-7/h7-9H,1-6H2
InChIKeyVPPKYYKMBVWUST-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Heptafluoropropyl)cyclohexan-1-one
CID 13431587
1-Cyclohexyl-2,2-difluoroethan-1-one
CID 23235830
1-Cyclohexyl-2,2,2-trifluoro-ethanone
CID 238415
2-Cyclopropylcyclohexan-1-one
CID 13551785
Cyclohexyltrifluoroacetone
CID 11816384
1-(4,4-Difluorocyclohexyl)ethan-1-one
CID 14365663
3-Cyclopropylcyclohexan-1-one
CID 53621926
4-Cyclopropylcyclohexan-1-one
CID 79005012
1-(3,3-Difluorocyclohexyl)ethan-1-one
CID 83854454
1,1-Difluorospiro(2.5)octan-6-one
CID 90017183
1-(2,2-Difluorocyclohexyl)ethan-1-one
CID 131187691
1-Cyclohexyl-2,2,3,3,3-pentafluoropropan-1-one
CID 13790059

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone (CID 105107408) is cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is VPPKYYKMBVWUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c12-11(13,14)9-4-2-1-3-8(9)10(15)7-5-6-7/h7-9H,1-6H2.
What are the key properties of cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone?
cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 220.23 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105107408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).