N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide

C10H11F3N2O — CID 66510191

IUPACN-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](N)C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c1-6(16)15-8-4-2-3-7(5-8)9(14)10(11,12)13/h2-5,9H,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyFMVNKKIQMQRKNW-SECBINFHSA-N
MW232.21 g/mol
LogP2.21
Rot. Bonds2

About N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide

N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide (PubChem CID 66510191) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide
PubChem CID66510191
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](N)C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c1-6(16)15-8-4-2-3-7(5-8)9(14)10(11,12)13/h2-5,9H,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyFMVNKKIQMQRKNW-SECBINFHSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]carbamate
CID 66511950
N-[3-(1-amino-2-hydroxyethyl)phenyl]acetamide
CID 55296718
N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide
CID 66516552
methyl 3-[(1S)-1-amino-2,2,2-trifluoroethyl]benzoate
CID 66511365
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998
N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
CID 51944566

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide (CID 66510191) is N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H](N)C(F)(F)F)c1.
What is the InChIKey of N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide?
The InChIKey is FMVNKKIQMQRKNW-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6(16)15-8-4-2-3-7(5-8)9(14)10(11,12)13/h2-5,9H,14H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide?
N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide has a molecular weight of 232.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]acetamide is sourced from PubChem (CID 66510191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).