1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde

C6H8F3NO — CID 134421455

IUPAC1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde
SMILESO=CC1(NCC(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)3-10-5(4-11)1-2-5/h4,10H,1-3H2
InChIKeyRTBIOIOPTWMGTR-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.87
Rot. Bonds3

About 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde

1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde (PubChem CID 134421455) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde
PubChem CID134421455
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde
SMILESO=CC1(NCC(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)3-10-5(4-11)1-2-5/h4,10H,1-3H2
InChIKeyRTBIOIOPTWMGTR-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde (CID 134421455) is 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde is O=CC1(NCC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde?
The InChIKey is RTBIOIOPTWMGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)3-10-5(4-11)1-2-5/h4,10H,1-3H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde?
1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde has a molecular weight of 167.13 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 134421455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).