(E)-1-fluorohept-1-ene

C7H13F — CID 22904171

IUPAC(E)-1-fluorohept-1-ene
SMILESCCCCC/C=C/F
InChIInChI=1S/C7H13F/c1-2-3-4-5-6-7-8/h6-7H,2-5H2,1H3/b7-6+
InChIKeyPCITZLWUBCVFRB-VOTSOKGWSA-N
MW116.18 g/mol
LogP3.05
Rot. Bonds4

About (E)-1-fluorohept-1-ene

(E)-1-fluorohept-1-ene (PubChem CID 22904171) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is (E)-1-fluorohept-1-ene.

Molecular Properties

Compound Name(E)-1-fluorohept-1-ene
PubChem CID22904171
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Name(E)-1-fluorohept-1-ene
SMILESCCCCC/C=C/F
InChIInChI=1S/C7H13F/c1-2-3-4-5-6-7-8/h6-7H,2-5H2,1H3/b7-6+
InChIKeyPCITZLWUBCVFRB-VOTSOKGWSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Hexene
CID 11597
1-Heptene
CID 11610
1-Hexene, 6-fluoro-
CID 9761
1-Pentene, 5-fluoro-
CID 67891
(1E)-1-fluoro-1-octene
CID 12517795
2-Fluorohex-1-ene
CID 10558576
Lithium hept-1-en-1-ide
CID 13585371
2-Fluoro-1-heptene
CID 21658078
3-Fluorohex-1-ene
CID 23437622
Fluorohexene
CID 57359528
cis-1-Fluoro-1-hexene
CID 87950676
Fluoro-z-penten
CID 129808908

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluorohept-1-ene?
The IUPAC name of (E)-1-fluorohept-1-ene (CID 22904171) is (E)-1-fluorohept-1-ene.
What is the SMILES notation for (E)-1-fluorohept-1-ene?
The canonical SMILES for (E)-1-fluorohept-1-ene is CCCCC/C=C/F.
What is the InChIKey of (E)-1-fluorohept-1-ene?
The InChIKey is PCITZLWUBCVFRB-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13F/c1-2-3-4-5-6-7-8/h6-7H,2-5H2,1H3/b7-6+.
What are the key properties of (E)-1-fluorohept-1-ene?
(E)-1-fluorohept-1-ene has a molecular weight of 116.18 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluorohept-1-ene is sourced from PubChem (CID 22904171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).