4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane

C10H4F14 — CID 143700246

IUPAC4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane
SMILESFC(F)=C1CC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H4F14/c11-4(12)3-1-5(13,6(14,15)2-3)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-2H2
InChIKeyXIOHYAWLEWZWJW-UHFFFAOYSA-N
MW390.11 g/mol
LogP5.74
Rot. Bonds3

About 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane

4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane (PubChem CID 143700246) has the molecular formula C10H4F14 and a molecular weight of 390.11 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane
PubChem CID143700246
Molecular FormulaC10H4F14
Molecular Weight390.11 g/mol
Exact Mass390.01
IUPAC Name4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane
SMILESFC(F)=C1CC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H4F14/c11-4(12)3-1-5(13,6(14,15)2-3)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-2H2
InChIKeyXIOHYAWLEWZWJW-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.11
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(Difluoromethylidene)-1,1,2,3,3,5-hexafluoro-2-(trifluoromethyl)cyclopentane
CID 53850130
1,1,3,3,3-Pentafluoroprop-1-en-2-ylcyclopentane
CID 58999460
[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]cyclopentane
CID 58999463
5-(Difluoromethylidene)-1,1,2,3-tetrafluoro-2-(trifluoromethyl)cyclopentane
CID 87406892
3-(Difluoromethylidene)-1,2,2-trifluoro-1-(trifluoromethyl)cyclopentane
CID 87423730
3-(Difluoromethylidene)-1,2,2-trifluoro-1-(fluoromethyl)cyclopentane
CID 131985404
1,1,1,2,2,3,3,4,4,5,6,8,8,8-Tetradecafluoro-5-(1,2,2-trifluoroethenyl)octane
CID 145590568
1,1,2,3,4,4,5,6,6,8-Decafluoro-5-(trifluoromethyl)oct-1-ene
CID 150641531
1,1,2,3,4,4,5,6,6,7,8,8,10-Tridecafluoro-7-(trifluoromethyl)dec-1-ene
CID 151133152
4-(Difluoromethylidene)-1,1,2-trifluoro-2-methylcyclopentane
CID 156079042
(1,1,2,3,3-Pentafluoro-allyl)cyclopentane
CID 10559935
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,11,11,13-Henicosafluoro-9-(fluoromethylidene)-10-(trifluoromethyl)tridecane
CID 154135019

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane?
The IUPAC name of 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane (CID 143700246) is 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane.
What is the SMILES notation for 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane?
The canonical SMILES for 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane is FC(F)=C1CC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane?
The InChIKey is XIOHYAWLEWZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F14/c11-4(12)3-1-5(13,6(14,15)2-3)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-2H2.
What are the key properties of 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane?
4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane has a molecular weight of 390.11 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,1,2-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentane is sourced from PubChem (CID 143700246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).