N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide

C9H15F4NO3 — CID 154972577

IUPACN-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide
SMILESCC(C)C(F)(C(=O)NCC(O)CO)C(F)(F)F
InChIInChI=1S/C9H15F4NO3/c1-5(2)8(10,9(11,12)13)7(17)14-3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3,(H,14,17)
InChIKeyBWUGTTQZBFCPDP-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.38
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide

N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide (PubChem CID 154972577) has the molecular formula C9H15F4NO3 and a molecular weight of 261.21 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide
PubChem CID154972577
Molecular FormulaC9H15F4NO3
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC NameN-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide
SMILESCC(C)C(F)(C(=O)NCC(O)CO)C(F)(F)F
InChIInChI=1S/C9H15F4NO3/c1-5(2)8(10,9(11,12)13)7(17)14-3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3,(H,14,17)
InChIKeyBWUGTTQZBFCPDP-UHFFFAOYSA-N
XLogP0.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide (CID 154972577) is N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide is CC(C)C(F)(C(=O)NCC(O)CO)C(F)(F)F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide?
The InChIKey is BWUGTTQZBFCPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO3/c1-5(2)8(10,9(11,12)13)7(17)14-3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3,(H,14,17).
What are the key properties of N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide?
N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide has a molecular weight of 261.21 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 154972577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).