N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide

C10H16F4N2O — CID 104974731

IUPACN-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide
SMILESCN(C(=O)C(F)(F)C(F)F)C1CCCNCC1
InChIInChI=1S/C10H16F4N2O/c1-16(7-3-2-5-15-6-4-7)9(17)10(13,14)8(11)12/h7-8,15H,2-6H2,1H3
InChIKeyJGUKWASQLMNSFV-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.49
Rot. Bonds3

About N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide

N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide (PubChem CID 104974731) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide
PubChem CID104974731
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC NameN-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide
SMILESCN(C(=O)C(F)(F)C(F)F)C1CCCNCC1
InChIInChI=1S/C10H16F4N2O/c1-16(7-3-2-5-15-6-4-7)9(17)10(13,14)8(11)12/h7-8,15H,2-6H2,1H3
InChIKeyJGUKWASQLMNSFV-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855
N-(azepan-4-yl)-N,2,3-trimethylbutanamide
CID 104974580
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
CID 107172653
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
N-methyl-N-piperidin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 81480295
N-(azepan-4-yl)-N-methylthiolane-2-carboxamide
CID 104974581
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
CID 107171989
N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
CID 107172008
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide
CID 103805389

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide?
The IUPAC name of N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide (CID 104974731) is N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide.
What is the SMILES notation for N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide?
The canonical SMILES for N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide is CN(C(=O)C(F)(F)C(F)F)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide?
The InChIKey is JGUKWASQLMNSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c1-16(7-3-2-5-15-6-4-7)9(17)10(13,14)8(11)12/h7-8,15H,2-6H2,1H3.
What are the key properties of N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide?
N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide has a molecular weight of 256.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide is sourced from PubChem (CID 104974731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).