2,2-difluorononadecylcycloundecane

C30H58F2 — CID 90054056

IUPAC2,2-difluorononadecylcycloundecane
SMILESCCCCCCCCCCCCCCCCCC(F)(F)CC1CCCCCCCCCC1
InChIInChI=1S/C30H58F2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30(31,32)28-29-25-22-19-16-13-14-17-20-23-26-29/h29H,2-28H2,1H3
InChIKeyFDKBELMJJFJEKG-UHFFFAOYSA-N
MW456.79 g/mol
LogP11.80
Rot. Bonds18

About 2,2-difluorononadecylcycloundecane

2,2-difluorononadecylcycloundecane (PubChem CID 90054056) has the molecular formula C30H58F2 and a molecular weight of 456.79 g/mol. Its IUPAC name is 2,2-difluorononadecylcycloundecane.

Molecular Properties

Compound Name2,2-difluorononadecylcycloundecane
PubChem CID90054056
Molecular FormulaC30H58F2
Molecular Weight456.79 g/mol
Exact Mass456.45
IUPAC Name2,2-difluorononadecylcycloundecane
SMILESCCCCCCCCCCCCCCCCCC(F)(F)CC1CCCCCCCCCC1
InChIInChI=1S/C30H58F2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30(31,32)28-29-25-22-19-16-13-14-17-20-23-26-29/h29H,2-28H2,1H3
InChIKeyFDKBELMJJFJEKG-UHFFFAOYSA-N
XLogP11.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.79
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2-difluorononadecylcycloundecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
6,15-dicyclohexylpentadecan-6-ylcyclohexane
CID 143323723
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
6-cyclohexylundecan-6-ylcyclohexane
CID 140522686
heptylcyclohexane;propan-2-one
CID 143570854
3,3-difluorooctane
CID 54258569
2,2-difluorododecan-1-ol
CID 86222269

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorononadecylcycloundecane?
The IUPAC name of 2,2-difluorononadecylcycloundecane (CID 90054056) is 2,2-difluorononadecylcycloundecane.
What is the SMILES notation for 2,2-difluorononadecylcycloundecane?
The canonical SMILES for 2,2-difluorononadecylcycloundecane is CCCCCCCCCCCCCCCCCC(F)(F)CC1CCCCCCCCCC1.
What is the InChIKey of 2,2-difluorononadecylcycloundecane?
The InChIKey is FDKBELMJJFJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58F2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30(31,32)28-29-25-22-19-16-13-14-17-20-23-26-29/h29H,2-28H2,1H3.
What are the key properties of 2,2-difluorononadecylcycloundecane?
2,2-difluorononadecylcycloundecane has a molecular weight of 456.79 g/mol, XLogP of 11.80, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorononadecylcycloundecane is sourced from PubChem (CID 90054056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).