2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide

C12H13F4NO — CID 113250799

IUPAC2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C12H13F4NO/c1-8-4-2-3-5-9(8)6-7-17-11(18)12(15,16)10(13)14/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKeySNIYSKTVZXCPIX-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.55
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 113250799) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID113250799
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C12H13F4NO/c1-8-4-2-3-5-9(8)6-7-17-11(18)12(15,16)10(13)14/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKeySNIYSKTVZXCPIX-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103731937
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756969
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide (CID 113250799) is 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is SNIYSKTVZXCPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-8-4-2-3-5-9(8)6-7-17-11(18)12(15,16)10(13)14/h2-5,10H,6-7H2,1H3,(H,17,18).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 263.23 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 113250799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).