(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal

C10H10F3NO — CID 54351964

IUPAC(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal
SMILESN[C@H](C=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-4-2-1-3-7(9)5-8(14)6-15/h1-4,6,8H,5,14H2/t8-/m0/s1
InChIKeyVJJWCTLTPQIVBE-QMMMGPOBSA-N
MW217.19 g/mol
LogP1.77
Rot. Bonds3

About (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal

(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal (PubChem CID 54351964) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal
PubChem CID54351964
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal
SMILESN[C@H](C=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-4-2-1-3-7(9)5-8(14)6-15/h1-4,6,8H,5,14H2/t8-/m0/s1
InChIKeyVJJWCTLTPQIVBE-QMMMGPOBSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.77
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

(5S,7S)-7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560594
2-(2-(Trifluoromethyl)phenyl)acetamide
CID 2760752
Phenylalaninal
CID 446207
6-Amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride
CID 53320959
Fluoro-deoxy phenylalanine
CID 18444076
[[4-[(2S)-2-amino-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
CID 57272533
(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal
CID 54309982
(2R)-2-amino-3,3-difluoro-3-phenylpropanal
CID 91389938
(2R)-2-amino-3,3-difluoro-3-phenylpropanamide
CID 97262800
2-Amino-3-phenyl-propanal
CID 3300397
2-(2-Aminoethyl)benzaldehyde
CID 12707182
Benzenepropanal, alpha-amino-, (alphaR)-
CID 18598772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal?
The IUPAC name of (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal (CID 54351964) is (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal.
What is the SMILES notation for (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal?
The canonical SMILES for (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal is N[C@H](C=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal?
The InChIKey is VJJWCTLTPQIVBE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9-4-2-1-3-7(9)5-8(14)6-15/h1-4,6,8H,5,14H2/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal?
(2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal has a molecular weight of 217.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[2-(trifluoromethyl)phenyl]propanal is sourced from PubChem (CID 54351964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).