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

C6H8F3NO — CID 174883298

IUPAC2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde
SMILESO=CCNC1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(1-2-5)10-3-4-11/h4,10H,1-3H2
InChIKeyVOLPWKURMQNIAY-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.87
Rot. Bonds3

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

2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde (PubChem CID 174883298) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde
PubChem CID174883298
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde
SMILESO=CCNC1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(1-2-5)10-3-4-11/h4,10H,1-3H2
InChIKeyVOLPWKURMQNIAY-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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Related Compounds

1-(2,2,2-Trifluoroethylamino)cyclopropane-1-carbaldehyde
CID 134421455
2-(2,2-Difluoroethylamino)-2-methylpropanal
CID 171074901
2-[[1-(Trifluoromethyl)cyclobutyl]amino]acetaldehyde
CID 174900366
2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde
CID 174900742
2-[(1-Methylcyclopropyl)amino]acetaldehyde
CID 144070360

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde (CID 174883298) is 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde is O=CCNC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde?
The InChIKey is VOLPWKURMQNIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5(1-2-5)10-3-4-11/h4,10H,1-3H2.
What are the key properties of 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde?
2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde 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 2-[[1-(trifluoromethyl)cyclopropyl]amino]acetaldehyde is sourced from PubChem (CID 174883298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).