3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide

C8H8F9NO2 — CID 107483448

IUPAC3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H8F9NO2/c9-6(10,11)3-18(1-2-19)5(20)4(7(12,13)14)8(15,16)17/h4,19H,1-3H2
InChIKeyBGCNRWYVQPIOBW-UHFFFAOYSA-N
MW321.14 g/mol
LogP2.11
Rot. Bonds4

About 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide (PubChem CID 107483448) has the molecular formula C8H8F9NO2 and a molecular weight of 321.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide
PubChem CID107483448
Molecular FormulaC8H8F9NO2
Molecular Weight321.14 g/mol
Exact Mass321.04
IUPAC Name3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H8F9NO2/c9-6(10,11)3-18(1-2-19)5(20)4(7(12,13)14)8(15,16)17/h4,19H,1-3H2
InChIKeyBGCNRWYVQPIOBW-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 107483262
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107358309
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)propanamide
CID 103310231
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107482299
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673
N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310045
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62876798
N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107358308
2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106312218
2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857325
N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 103310161

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide (CID 107483448) is 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide is O=C(C(C(F)(F)F)C(F)(F)F)N(CCO)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide?
The InChIKey is BGCNRWYVQPIOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F9NO2/c9-6(10,11)3-18(1-2-19)5(20)4(7(12,13)14)8(15,16)17/h4,19H,1-3H2.
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide has a molecular weight of 321.14 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 107483448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).