N,N-diethyl-2-(trifluoromethyl)nonanamide

C14H26F3NO — CID 87943381

IUPACN,N-diethyl-2-(trifluoromethyl)nonanamide
SMILESCCCCCCCC(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-4-7-8-9-10-11-12(14(15,16)17)13(19)18(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyQMRRCBVDFNHPEQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.39
Rot. Bonds9

About N,N-diethyl-2-(trifluoromethyl)nonanamide

N,N-diethyl-2-(trifluoromethyl)nonanamide (PubChem CID 87943381) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-diethyl-2-(trifluoromethyl)nonanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(trifluoromethyl)nonanamide
PubChem CID87943381
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN,N-diethyl-2-(trifluoromethyl)nonanamide
SMILESCCCCCCCC(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-4-7-8-9-10-11-12(14(15,16)17)13(19)18(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyQMRRCBVDFNHPEQ-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(trifluoromethyl)decanamide
CID 87943520
2-(trifluoromethyl)hexadecanoyl fluoride
CID 175023315
N,N-diethyl-2-octyldodecanamide
CID 54517458
butyl 2-(trifluoromethyl)octanoate
CID 87943129
propyl 2-(trifluoromethyl)nonanoate
CID 87943473
N,N-diethyl-2,3,3,3-tetrafluoropropanamide
CID 2774042
N,N-dibutyl-5-oxo-2-(trifluoromethyl)heptanamide
CID 15438697
5-(trifluoromethyl)undecan-6-one
CID 14914268
N,N,N',N'-tetraethyl-2,8-bis(hexadec-7-enyl)nonanediamide
CID 91497210
N-ethyl-N-hexylcarbamate
CID 53442022
N,N,N',N'-tetraethyl-2,8-bis[8-[(2S,3S)-3-octyloxiran-2-yl]octyl]nonanediamide
CID 90908048
N-pentylsulfanyl-2-(trifluoromethyl)heptanamide
CID 174529612

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(trifluoromethyl)nonanamide?
The IUPAC name of N,N-diethyl-2-(trifluoromethyl)nonanamide (CID 87943381) is N,N-diethyl-2-(trifluoromethyl)nonanamide.
What is the SMILES notation for N,N-diethyl-2-(trifluoromethyl)nonanamide?
The canonical SMILES for N,N-diethyl-2-(trifluoromethyl)nonanamide is CCCCCCCC(C(=O)N(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(trifluoromethyl)nonanamide?
The InChIKey is QMRRCBVDFNHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-4-7-8-9-10-11-12(14(15,16)17)13(19)18(5-2)6-3/h12H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(trifluoromethyl)nonanamide?
N,N-diethyl-2-(trifluoromethyl)nonanamide has a molecular weight of 281.36 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(trifluoromethyl)nonanamide is sourced from PubChem (CID 87943381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).