N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide

C10H13F4NO — CID 103733290

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC1CC=CCC1)C(F)(F)C(F)F
InChIInChI=1S/C10H13F4NO/c11-8(12)10(13,14)9(16)15-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeySSBXCOCMCLJHAT-UHFFFAOYSA-N
MW239.21 g/mol
LogP2.36
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide

N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733290) has the molecular formula C10H13F4NO and a molecular weight of 239.21 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733290
Molecular FormulaC10H13F4NO
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC1CC=CCC1)C(F)(F)C(F)F
InChIInChI=1S/C10H13F4NO/c11-8(12)10(13,14)9(16)15-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeySSBXCOCMCLJHAT-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide (CID 103733290) is N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide is O=C(NCC1CC=CCC1)C(F)(F)C(F)F.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is SSBXCOCMCLJHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO/c11-8(12)10(13,14)9(16)15-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H,15,16).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide?
N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 239.21 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).