1-[1-(trifluoromethyl)cyclopropyl]ethanone

C6H7F3O — CID 59649469

IUPAC1-[1-(trifluoromethyl)cyclopropyl]ethanone
SMILESCC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3O/c1-4(10)5(2-3-5)6(7,8)9/h2-3H2,1H3
InChIKeyRNHLQUUJBNLQQV-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.92
Rot. Bonds1

About 1-[1-(trifluoromethyl)cyclopropyl]ethanone

1-[1-(trifluoromethyl)cyclopropyl]ethanone (PubChem CID 59649469) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]ethanone
PubChem CID59649469
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]ethanone
SMILESCC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3O/c1-4(10)5(2-3-5)6(7,8)9/h2-3H2,1H3
InChIKeyRNHLQUUJBNLQQV-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]ethanone (CID 59649469) is 1-[1-(trifluoromethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]ethanone is CC(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]ethanone?
The InChIKey is RNHLQUUJBNLQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c1-4(10)5(2-3-5)6(7,8)9/h2-3H2,1H3.
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]ethanone?
1-[1-(trifluoromethyl)cyclopropyl]ethanone has a molecular weight of 152.11 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]ethanone is sourced from PubChem (CID 59649469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).