2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde

C6H7F3O — CID 131117989

IUPAC2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde
SMILESO=CCC1(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3O/c7-6(8,9)5(1-2-5)3-4-10/h4H,1-3H2
InChIKeyDMUIEKKCRSCVGH-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.92
Rot. Bonds2

About 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde

2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde (PubChem CID 131117989) has the molecular formula C6H7F3O and a molecular weight of 152.12 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde
PubChem CID131117989
Molecular FormulaC6H7F3O
Molecular Weight152.12 g/mol
Exact Mass152.04
IUPAC Name2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde
SMILESO=CCC1(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3O/c7-6(8,9)5(1-2-5)3-4-10/h4H,1-3H2
InChIKeyDMUIEKKCRSCVGH-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde?
The IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde (CID 131117989) is 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde is O=CCC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde?
The InChIKey is DMUIEKKCRSCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c7-6(8,9)5(1-2-5)3-4-10/h4H,1-3H2.
What are the key properties of 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde?
2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde has a molecular weight of 152.12 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde is sourced from PubChem (CID 131117989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).