2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane

C9H10ClF5 — CID 88740562

IUPAC2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane
SMILESCC1(C)CC1/C(Cl)=C/C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10ClF5/c1-7(2)3-5(7)6(10)4-8(11,12)9(13,14)15/h4-5H,3H2,1-2H3/b6-4-
InChIKeyJESNWUQDFSVLIM-XQRVVYSFSA-N
MW248.62 g/mol
LogP4.35
Rot. Bonds2

About 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane

2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane (PubChem CID 88740562) has the molecular formula C9H10ClF5 and a molecular weight of 248.62 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane
PubChem CID88740562
Molecular FormulaC9H10ClF5
Molecular Weight248.62 g/mol
Exact Mass248.04
IUPAC Name2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane
SMILESCC1(C)CC1/C(Cl)=C/C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10ClF5/c1-7(2)3-5(7)6(10)4-8(11,12)9(13,14)15/h4-5H,3H2,1-2H3/b6-4-
InChIKeyJESNWUQDFSVLIM-XQRVVYSFSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.62
LogP ≤ 54.35
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

(2S)-2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane
CID 141315541
(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 28875815
2-[(Z)-2,3-dichloro-3,3-difluoroprop-1-enyl]-1,1-dimethylcyclopropane
CID 173412089
2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane
CID 70536698
carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
CID 88740342
CID 100937333
CID 100937333
(2,4-dichloro-3,3,4,4-tetrafluorobut-1-enyl) 2,2-dimethylcyclopropane-1-carboxylate;1,2-dimethylcyclopropane-1-carboxylic acid
CID 159707575
1,1,1,3,3,3-hexafluoro-2-(3-methyl-1-adamantyl)propan-2-ol
CID 59460064
CID 100937332
CID 100937332
2-methyl-2-prop-1-enylcyclopropane-1-carbonyl chloride
CID 57357803
(5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane
CID 170710567
2,2-dimethyl-5-sulfanylcyclohexan-1-ol
CID 144679012

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane?
The IUPAC name of 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane (CID 88740562) is 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane?
The canonical SMILES for 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane is CC1(C)CC1/C(Cl)=C/C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane?
The InChIKey is JESNWUQDFSVLIM-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H10ClF5/c1-7(2)3-5(7)6(10)4-8(11,12)9(13,14)15/h4-5H,3H2,1-2H3/b6-4-.
What are the key properties of 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane?
2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane has a molecular weight of 248.62 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane is sourced from PubChem (CID 88740562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).