N-propyl-2,2-bis(trifluoromethyl)butanamide

C9H13F6NO — CID 71671965

IUPACN-propyl-2,2-bis(trifluoromethyl)butanamide
SMILESCCCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-3-5-16-6(17)7(4-2,8(10,11)12)9(13,14)15/h3-5H2,1-2H3,(H,16,17)
InChIKeyJVPXUTCUYPMXQH-UHFFFAOYSA-N
MW265.20 g/mol
LogP3.03
Rot. Bonds4

About N-propyl-2,2-bis(trifluoromethyl)butanamide

N-propyl-2,2-bis(trifluoromethyl)butanamide (PubChem CID 71671965) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is N-propyl-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-propyl-2,2-bis(trifluoromethyl)butanamide
PubChem CID71671965
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC NameN-propyl-2,2-bis(trifluoromethyl)butanamide
SMILESCCCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-3-5-16-6(17)7(4-2,8(10,11)12)9(13,14)15/h3-5H2,1-2H3,(H,16,17)
InChIKeyJVPXUTCUYPMXQH-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-decyl-2,2-bis(trifluoromethyl)butanamide
CID 5023706
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
CID 614782
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
CID 71671966
1-propyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 2276908
3-hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
CID 90205971
3,3,3-trifluoro-2-methyl-2-(propylcarbamoylamino)propanoic acid
CID 79793400
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766
2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846

Frequently Asked Questions

What is the IUPAC name of N-propyl-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-propyl-2,2-bis(trifluoromethyl)butanamide (CID 71671965) is N-propyl-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-propyl-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-propyl-2,2-bis(trifluoromethyl)butanamide is CCCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-propyl-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is JVPXUTCUYPMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO/c1-3-5-16-6(17)7(4-2,8(10,11)12)9(13,14)15/h3-5H2,1-2H3,(H,16,17).
What are the key properties of N-propyl-2,2-bis(trifluoromethyl)butanamide?
N-propyl-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 265.20 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 71671965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).