molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide

C16H28F3NO — CID 153404877

IUPACmolecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCC(C)C12CCC(NC(=O)C(C)(C)C(F)(F)F)(CC1)CC2.[H][H]
InChIInChI=1S/C16H26F3NO.H2/c1-11(2)14-5-8-15(9-6-14,10-7-14)20-12(21)13(3,4)16(17,18)19;/h11H,5-10H2,1-4H3,(H,20,21);1H
InChIKeyLZIHASVCFQDXBW-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.69
Rot. Bonds3

About molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide

molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide (PubChem CID 153404877) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide.

Molecular Properties

Compound Namemolecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
PubChem CID153404877
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Namemolecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCC(C)C12CCC(NC(=O)C(C)(C)C(F)(F)F)(CC1)CC2.[H][H]
InChIInChI=1S/C16H26F3NO.H2/c1-11(2)14-5-8-15(9-6-14,10-7-14)20-12(21)13(3,4)16(17,18)19;/h11H,5-10H2,1-4H3,(H,20,21);1H
InChIKeyLZIHASVCFQDXBW-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The IUPAC name of molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide (CID 153404877) is molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide.
What is the SMILES notation for molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The canonical SMILES for molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide is CC(C)C12CCC(NC(=O)C(C)(C)C(F)(F)F)(CC1)CC2.[H][H].
What is the InChIKey of molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The InChIKey is LZIHASVCFQDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO.H2/c1-11(2)14-5-8-15(9-6-14,10-7-14)20-12(21)13(3,4)16(17,18)19;/h11H,5-10H2,1-4H3,(H,20,21);1H.
What are the key properties of molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide has a molecular weight of 307.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide is sourced from PubChem (CID 153404877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).