1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C11H12F6O — CID 103309405

IUPAC1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESO=C(C1=CCCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O/c12-10(13,14)9(11(15,16)17)8(18)7-5-3-1-2-4-6-7/h5,9H,1-4,6H2
InChIKeyBFYZXLDPGKKZAM-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.19
Rot. Bonds2

About 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103309405) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103309405
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESO=C(C1=CCCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O/c12-10(13,14)9(11(15,16)17)8(18)7-5-3-1-2-4-6-7/h5,9H,1-4,6H2
InChIKeyBFYZXLDPGKKZAM-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
cycloheptene-1-carboxamide
CID 22261654
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
N-oxocycloheptene-1-carboxamide
CID 130462192
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220
(2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one
CID 178068572
cyclopropyl cycloheptene-1-carboxylate
CID 130634533

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103309405) is 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is O=C(C1=CCCCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is BFYZXLDPGKKZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O/c12-10(13,14)9(11(15,16)17)8(18)7-5-3-1-2-4-6-7/h5,9H,1-4,6H2.
What are the key properties of 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 274.20 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103309405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).