ethane;4-(trifluoromethyl)cyclohexan-1-one

C9H15F3O — CID 145136501

IUPACethane;4-(trifluoromethyl)cyclohexan-1-one
SMILESCC.O=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O.C2H6/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h5H,1-4H2;1-2H3
InChIKeyKPFDPBNHCSCWBL-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.33
Rot. Bonds

About ethane;4-(trifluoromethyl)cyclohexan-1-one

ethane;4-(trifluoromethyl)cyclohexan-1-one (PubChem CID 145136501) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is ethane;4-(trifluoromethyl)cyclohexan-1-one.

Molecular Properties

Compound Nameethane;4-(trifluoromethyl)cyclohexan-1-one
PubChem CID145136501
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Nameethane;4-(trifluoromethyl)cyclohexan-1-one
SMILESCC.O=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O.C2H6/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h5H,1-4H2;1-2H3
InChIKeyKPFDPBNHCSCWBL-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylcyclohexanone
CID 11567
4-Methylcyclohexanone
CID 11525
(+)-3-Methylcyclohexanone
CID 83384
4-Ethylcyclohexanone
CID 79506
5,5,6,6,7,7,7-Heptafluoro-4-methylheptan-3-one
CID 23236455
2-(Trifluoroacetyl)cyclohexanone
CID 238413
4-(Trifluoromethyl)cyclohexanone
CID 2777491
2-(Trifluoromethyl)cyclohexanone
CID 2777488
2-(2,2,3,3,4,4,4-Heptafluorobutanoyl)cyclohexan-1-one
CID 238426
2-(Heptafluoropropyl)cyclohexan-1-one
CID 13431587
3-Methylcyclohexanone, (-)-
CID 7057964
1-Cyclohexyl-2,2-difluoroethan-1-one
CID 23235830

Frequently Asked Questions

What is the IUPAC name of ethane;4-(trifluoromethyl)cyclohexan-1-one?
The IUPAC name of ethane;4-(trifluoromethyl)cyclohexan-1-one (CID 145136501) is ethane;4-(trifluoromethyl)cyclohexan-1-one.
What is the SMILES notation for ethane;4-(trifluoromethyl)cyclohexan-1-one?
The canonical SMILES for ethane;4-(trifluoromethyl)cyclohexan-1-one is CC.O=C1CCC(C(F)(F)F)CC1.
What is the InChIKey of ethane;4-(trifluoromethyl)cyclohexan-1-one?
The InChIKey is KPFDPBNHCSCWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O.C2H6/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h5H,1-4H2;1-2H3.
What are the key properties of ethane;4-(trifluoromethyl)cyclohexan-1-one?
ethane;4-(trifluoromethyl)cyclohexan-1-one has a molecular weight of 196.21 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(trifluoromethyl)cyclohexan-1-one is sourced from PubChem (CID 145136501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).