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

C14H21F5 — CID 10968037

IUPAC1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene
SMILESCCCCCCCCCCC1=C(C(F)(F)F)C1(F)F
InChIInChI=1S/C14H21F5/c1-2-3-4-5-6-7-8-9-10-11-12(13(11,15)16)14(17,18)19/h2-10H2,1H3
InChIKeyOODFDWFTPYSKKZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP6.03
Rot. Bonds9

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

1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene (PubChem CID 10968037) has the molecular formula C14H21F5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene
PubChem CID10968037
Molecular FormulaC14H21F5
Molecular Weight284.31 g/mol
Exact Mass284.16
IUPAC Name1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene
SMILESCCCCCCCCCCC1=C(C(F)(F)F)C1(F)F
InChIInChI=1S/C14H21F5/c1-2-3-4-5-6-7-8-9-10-11-12(13(11,15)16)14(17,18)19/h2-10H2,1H3
InChIKeyOODFDWFTPYSKKZ-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.31
LogP ≤ 56.03
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
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
Hexofluoropropylene
CID 129703938
(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
5-(2,2,2-Trifluoroethylidene)nonane
CID 121217681
3,3,4,4-Tetrafluoro-1,2-dipropylcyclobutene
CID 276075
5-(3,3,3-Trifluoro-propylidene)-nonane
CID 14400285
1-Decyl-3,3-difluoro-2-iodocyclopropene
CID 11002369
3,3-Difluoro-1-hexyl-2-iodocyclopropene
CID 11033434
3,3-Difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene
CID 11806048

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene?
The IUPAC name of 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene (CID 10968037) is 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene.
What is the SMILES notation for 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene?
The canonical SMILES for 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene is CCCCCCCCCCC1=C(C(F)(F)F)C1(F)F.
What is the InChIKey of 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene?
The InChIKey is OODFDWFTPYSKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F5/c1-2-3-4-5-6-7-8-9-10-11-12(13(11,15)16)14(17,18)19/h2-10H2,1H3.
What are the key properties of 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene?
1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene has a molecular weight of 284.31 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene is sourced from PubChem (CID 10968037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).