N,2,2-trifluorohexanamide

C6H10F3NO — CID 21140245

IUPACN,2,2-trifluorohexanamide
SMILESCCCCC(F)(F)C(=O)NF
InChIInChI=1S/C6H10F3NO/c1-2-3-4-6(7,8)5(11)10-9/h2-4H2,1H3,(H,10,11)
InChIKeyBVNMDJWKEQZGHJ-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.81
Rot. Bonds4

About N,2,2-trifluorohexanamide

N,2,2-trifluorohexanamide (PubChem CID 21140245) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N,2,2-trifluorohexanamide.

Molecular Properties

Compound NameN,2,2-trifluorohexanamide
PubChem CID21140245
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN,2,2-trifluorohexanamide
SMILESCCCCC(F)(F)C(=O)NF
InChIInChI=1S/C6H10F3NO/c1-2-3-4-6(7,8)5(11)10-9/h2-4H2,1H3,(H,10,11)
InChIKeyBVNMDJWKEQZGHJ-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Hexanamide, 6-fluoro-
CID 12667
2,2,3,3,4,4,5,5,6,6-Decafluorohexanamide
CID 5082584
(2S,3R)-2,3-difluorohexanamide
CID 155931762
7,7,7-Trifluoroheptanamide
CID 166439060
N,2,2-trifluorotetradecanamide
CID 20155649
N,2,2-trifluoropentanamide
CID 22216352
2,2-Difluoropentanamide
CID 54013226
2-Fluorohexanamide
CID 55291016
5,5,5-Trifluoropentanamide
CID 87098895
N,2,5-trifluoropentanamide
CID 87098931
4,4-Difluoropentanamide
CID 87189614
5,5-Difluoropentanamide
CID 87189781

Frequently Asked Questions

What is the IUPAC name of N,2,2-trifluorohexanamide?
The IUPAC name of N,2,2-trifluorohexanamide (CID 21140245) is N,2,2-trifluorohexanamide.
What is the SMILES notation for N,2,2-trifluorohexanamide?
The canonical SMILES for N,2,2-trifluorohexanamide is CCCCC(F)(F)C(=O)NF.
What is the InChIKey of N,2,2-trifluorohexanamide?
The InChIKey is BVNMDJWKEQZGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-2-3-4-6(7,8)5(11)10-9/h2-4H2,1H3,(H,10,11).
What are the key properties of N,2,2-trifluorohexanamide?
N,2,2-trifluorohexanamide has a molecular weight of 169.15 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trifluorohexanamide is sourced from PubChem (CID 21140245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).