ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane

C15H30FNO — CID 177059114

IUPACethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane
SMILESC=C1CC[C@@](F)(C(N)=O)CC1(C)C.CC.CCC
InChIInChI=1S/C10H16FNO.C3H8.C2H6/c1-7-4-5-10(11,8(12)13)6-9(7,2)3;1-3-2;1-2/h1,4-6H2,2-3H3,(H2,12,13);3H2,1-2H3;1-2H3/t10-;;/m0../s1
InChIKeyQJYXFEJLRAEBGJ-XRIOVQLTSA-N
MW259.41 g/mol
LogP4.39
Rot. Bonds1

About ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane

ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane (PubChem CID 177059114) has the molecular formula C15H30FNO and a molecular weight of 259.41 g/mol. Its IUPAC name is ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane.

Molecular Properties

Compound Nameethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane
PubChem CID177059114
Molecular FormulaC15H30FNO
Molecular Weight259.41 g/mol
Exact Mass259.23
IUPAC Nameethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane
SMILESC=C1CC[C@@](F)(C(N)=O)CC1(C)C.CC.CCC
InChIInChI=1S/C10H16FNO.C3H8.C2H6/c1-7-4-5-10(11,8(12)13)6-9(7,2)3;1-3-2;1-2/h1,4-6H2,2-3H3,(H2,12,13);3H2,1-2H3;1-2H3/t10-;;/m0../s1
InChIKeyQJYXFEJLRAEBGJ-XRIOVQLTSA-N
XLogP4.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane?
The IUPAC name of ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane (CID 177059114) is ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane.
What is the SMILES notation for ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane?
The canonical SMILES for ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane is C=C1CC[C@@](F)(C(N)=O)CC1(C)C.CC.CCC.
What is the InChIKey of ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane?
The InChIKey is QJYXFEJLRAEBGJ-XRIOVQLTSA-N. The full InChI is InChI=1S/C10H16FNO.C3H8.C2H6/c1-7-4-5-10(11,8(12)13)6-9(7,2)3;1-3-2;1-2/h1,4-6H2,2-3H3,(H2,12,13);3H2,1-2H3;1-2H3/t10-;;/m0../s1.
What are the key properties of ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane?
ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane has a molecular weight of 259.41 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-1-fluoro-3,3-dimethyl-4-methylidenecyclohexane-1-carboxamide;propane is sourced from PubChem (CID 177059114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).