3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene

C9H11F5 — CID 11806048

IUPAC3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene
SMILESCCCCCC1=C(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H11F5/c1-2-3-4-5-6-7(8(6,10)11)9(12,13)14/h2-5H2,1H3
InChIKeyPCKXLBLFQPJYFL-UHFFFAOYSA-N
MW214.18 g/mol
LogP4.07
Rot. Bonds4

About 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene

3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene (PubChem CID 11806048) has the molecular formula C9H11F5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene
PubChem CID11806048
Molecular FormulaC9H11F5
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene
SMILESCCCCCC1=C(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H11F5/c1-2-3-4-5-6-7(8(6,10)11)9(12,13)14/h2-5H2,1H3
InChIKeyPCKXLBLFQPJYFL-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-Difluoro-1-octylcycloprop-1-ene
CID 15709092
3,3-Difluoro-1-iodo-2-pentylcyclopropene
CID 11065563
1-Butylheptafluoroisobutene
CID 23264459
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene
CID 10742421
1-Butyl-3,3-difluoro-2-octylcyclopropene
CID 101781897
3,3,4,4-Tetrafluoro-1,2-dipropylcyclobutene
CID 276075
1-Decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene
CID 10968037
1-Decyl-3,3-difluoro-2-iodocyclopropene
CID 11002369
3,3-Difluoro-1-hexyl-2-iodocyclopropene
CID 11033434
3,3-Difluoro-1-Hexylcyclopropene
CID 15709091
3,3-Difluoro-1,2-dipropylcyclopropene
CID 15709094

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene?
The IUPAC name of 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene (CID 11806048) is 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene.
What is the SMILES notation for 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene?
The canonical SMILES for 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene is CCCCCC1=C(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene?
The InChIKey is PCKXLBLFQPJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5/c1-2-3-4-5-6-7(8(6,10)11)9(12,13)14/h2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene?
3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene has a molecular weight of 214.18 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene is sourced from PubChem (CID 11806048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).