N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide

C10H16F4N2O — CID 106291080

IUPACN-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)N1CCCCCC1
InChIInChI=1S/C10H16F4N2O/c11-8(12)10(13,14)7-15-9(17)16-5-3-1-2-4-6-16/h8H,1-7H2,(H,15,17)
InChIKeyJYTDMAQVTQIVLU-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.47
Rot. Bonds3

About N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide

N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide (PubChem CID 106291080) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide
PubChem CID106291080
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)N1CCCCCC1
InChIInChI=1S/C10H16F4N2O/c11-8(12)10(13,14)7-15-9(17)16-5-3-1-2-4-6-16/h8H,1-7H2,(H,15,17)
InChIKeyJYTDMAQVTQIVLU-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid
CID 106295133
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
N-(3-amino-2,2-dimethylpropyl)azepane-1-carboxamide
CID 115365844
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
CID 115675126
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
N-[2-(trifluoromethylsulfanyl)ethyl]azepane-1-carboxamide
CID 113225960
N-(4-hydroxy-2,2-dimethylbutyl)piperidine-1-carboxamide
CID 103713759
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide (CID 106291080) is N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide is O=C(NCC(F)(F)C(F)F)N1CCCCCC1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide?
The InChIKey is JYTDMAQVTQIVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c11-8(12)10(13,14)7-15-9(17)16-5-3-1-2-4-6-16/h8H,1-7H2,(H,15,17).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide?
N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide has a molecular weight of 256.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide is sourced from PubChem (CID 106291080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).