(E)-7-chloro-1,1,1-trifluorohept-2-ene

C7H10ClF3 — CID 77114659

IUPAC(E)-7-chloro-1,1,1-trifluorohept-2-ene
SMILESFC(F)(F)/C=C/CCCCCl
InChIInChI=1S/C7H10ClF3/c8-6-4-2-1-3-5-7(9,10)11/h3,5H,1-2,4,6H2/b5-3+
InChIKeyIVLXTHVAXPFXAS-HWKANZROSA-N
MW186.60 g/mol
LogP3.51
Rot. Bonds4

About (E)-7-chloro-1,1,1-trifluorohept-2-ene

(E)-7-chloro-1,1,1-trifluorohept-2-ene (PubChem CID 77114659) has the molecular formula C7H10ClF3 and a molecular weight of 186.60 g/mol. Its IUPAC name is (E)-7-chloro-1,1,1-trifluorohept-2-ene.

Molecular Properties

Compound Name(E)-7-chloro-1,1,1-trifluorohept-2-ene
PubChem CID77114659
Molecular FormulaC7H10ClF3
Molecular Weight186.60 g/mol
Exact Mass186.04
IUPAC Name(E)-7-chloro-1,1,1-trifluorohept-2-ene
SMILESFC(F)(F)/C=C/CCCCCl
InChIInChI=1S/C7H10ClF3/c8-6-4-2-1-3-5-7(9,10)11/h3,5H,1-2,4,6H2/b5-3+
InChIKeyIVLXTHVAXPFXAS-HWKANZROSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-4,5,5-trifluorocyclohexene
CID 23237106
(E)-7-chloro-1,1,1-trifluoro-3-iodohept-2-ene
CID 77114658
(E)-6-chloro-1,1,1-trifluorohex-2-ene
CID 177852852
Cyclohexene, 3,6-dichloro-4,4,5,5-tetrafluoro-
CID 604424
5-Chloro-6,6-difluorohex-1-ene
CID 129923826
4-Chloro-1-fluorocyclohexene
CID 23443589
(E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
CID 25181461
(Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
CID 25215694
1,5,6-Trichloro-5,6,6-trifluorohex-2-ene
CID 53785559
2,5-Dichloro-1,4,4-trifluoroocta-2,6-diene
CID 57321708
1-Chloro-8,8,9,9,9-pentafluoronon-4-ene
CID 74400647
(3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene
CID 87430192

Frequently Asked Questions

What is the IUPAC name of (E)-7-chloro-1,1,1-trifluorohept-2-ene?
The IUPAC name of (E)-7-chloro-1,1,1-trifluorohept-2-ene (CID 77114659) is (E)-7-chloro-1,1,1-trifluorohept-2-ene.
What is the SMILES notation for (E)-7-chloro-1,1,1-trifluorohept-2-ene?
The canonical SMILES for (E)-7-chloro-1,1,1-trifluorohept-2-ene is FC(F)(F)/C=C/CCCCCl.
What is the InChIKey of (E)-7-chloro-1,1,1-trifluorohept-2-ene?
The InChIKey is IVLXTHVAXPFXAS-HWKANZROSA-N. The full InChI is InChI=1S/C7H10ClF3/c8-6-4-2-1-3-5-7(9,10)11/h3,5H,1-2,4,6H2/b5-3+.
What are the key properties of (E)-7-chloro-1,1,1-trifluorohept-2-ene?
(E)-7-chloro-1,1,1-trifluorohept-2-ene has a molecular weight of 186.60 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-chloro-1,1,1-trifluorohept-2-ene is sourced from PubChem (CID 77114659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).