2,3,3-trifluoro-N-naphthalen-2-ylpropanamide

C13H10F3NO — CID 175396381

IUPAC2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
SMILESO=C(Nc1ccc2ccccc2c1)C(F)C(F)F
InChIInChI=1S/C13H10F3NO/c14-11(12(15)16)13(18)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-12H,(H,17,18)
InChIKeyMWIBNIZXLMBZKP-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.38
Rot. Bonds3

About 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide

2,3,3-trifluoro-N-naphthalen-2-ylpropanamide (PubChem CID 175396381) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
PubChem CID175396381
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
SMILESO=C(Nc1ccc2ccccc2c1)C(F)C(F)F
InChIInChI=1S/C13H10F3NO/c14-11(12(15)16)13(18)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-12H,(H,17,18)
InChIKeyMWIBNIZXLMBZKP-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
CID 5018859
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
1-methyl-3-naphthalen-2-ylurea
CID 3454681
(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide (CID 175396381) is 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide is O=C(Nc1ccc2ccccc2c1)C(F)C(F)F.
What is the InChIKey of 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide?
The InChIKey is MWIBNIZXLMBZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-11(12(15)16)13(18)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-12H,(H,17,18).
What are the key properties of 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide?
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide has a molecular weight of 253.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 175396381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).