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

C16H27F6NO — CID 5023706

IUPACN-decyl-2,2-bis(trifluoromethyl)butanamide
SMILESCCCCCCCCCCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H27F6NO/c1-3-5-6-7-8-9-10-11-12-23-13(24)14(4-2,15(17,18)19)16(20,21)22/h3-12H2,1-2H3,(H,23,24)
InChIKeyPEZPTOXCRDAIOZ-UHFFFAOYSA-N
MW363.39 g/mol
LogP5.76
Rot. Bonds11

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

N-decyl-2,2-bis(trifluoromethyl)butanamide (PubChem CID 5023706) has the molecular formula C16H27F6NO and a molecular weight of 363.39 g/mol. Its IUPAC name is N-decyl-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-decyl-2,2-bis(trifluoromethyl)butanamide
PubChem CID5023706
Molecular FormulaC16H27F6NO
Molecular Weight363.39 g/mol
Exact Mass363.20
IUPAC NameN-decyl-2,2-bis(trifluoromethyl)butanamide
SMILESCCCCCCCCCCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H27F6NO/c1-3-5-6-7-8-9-10-11-12-23-13(24)14(4-2,15(17,18)19)16(20,21)22/h3-12H2,1-2H3,(H,23,24)
InChIKeyPEZPTOXCRDAIOZ-UHFFFAOYSA-N
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.39
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2,2-bis(trifluoromethyl)butanamide
CID 71671965
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-diheptylheptanediamide
CID 5227382
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 71672034
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117
2,2,2-trichloro-N-dodecylacetamide
CID 4986291

Frequently Asked Questions

What is the IUPAC name of N-decyl-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-decyl-2,2-bis(trifluoromethyl)butanamide (CID 5023706) is N-decyl-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-decyl-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-decyl-2,2-bis(trifluoromethyl)butanamide is CCCCCCCCCCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-decyl-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is PEZPTOXCRDAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F6NO/c1-3-5-6-7-8-9-10-11-12-23-13(24)14(4-2,15(17,18)19)16(20,21)22/h3-12H2,1-2H3,(H,23,24).
What are the key properties of N-decyl-2,2-bis(trifluoromethyl)butanamide?
N-decyl-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 363.39 g/mol, XLogP of 5.76, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 5023706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).