(E)-1-chloro-1-fluorohept-1-ene

C7H12ClF — CID 173273597

IUPAC(E)-1-chloro-1-fluorohept-1-ene
SMILESCCCCC/C=C(\F)Cl
InChIInChI=1S/C7H12ClF/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3/b7-6-
InChIKeyYYBJNJAXEZNZLT-SREVYHEPSA-N
MW150.62 g/mol
LogP3.62
Rot. Bonds4

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

(E)-1-chloro-1-fluorohept-1-ene (PubChem CID 173273597) has the molecular formula C7H12ClF and a molecular weight of 150.62 g/mol. Its IUPAC name is (E)-1-chloro-1-fluorohept-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-1-fluorohept-1-ene
PubChem CID173273597
Molecular FormulaC7H12ClF
Molecular Weight150.62 g/mol
Exact Mass150.06
IUPAC Name(E)-1-chloro-1-fluorohept-1-ene
SMILESCCCCC/C=C(\F)Cl
InChIInChI=1S/C7H12ClF/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3/b7-6-
InChIKeyYYBJNJAXEZNZLT-SREVYHEPSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.62
LogP ≤ 53.62
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-chlorooctadec-1-en-1-amine
CID 173460084
2-fluorooct-2-enal
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hexane;hypochlorous acid
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(Z)-2-chlorooct-2-enoic acid
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(3E)-3-fluoro-2-methylnona-1,3-diene
CID 102212096
undec-1-ene-1,1-diol
CID 87556705
[(Z)-1-fluoronon-1-enyl]cyclopropane
CID 44549689
2-methyldodec-2-enoyl chloride
CID 72833281
(Z)-2-fluoronon-2-enenitrile
CID 11400896
(Z)-2-fluorohexadec-2-en-1-amine;hydrochloride
CID 72735850
(E)-10-methylnonadec-9-ene
CID 5364653
6-methyldocos-6-ene
CID 629460

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-1-fluorohept-1-ene?
The IUPAC name of (E)-1-chloro-1-fluorohept-1-ene (CID 173273597) is (E)-1-chloro-1-fluorohept-1-ene.
What is the SMILES notation for (E)-1-chloro-1-fluorohept-1-ene?
The canonical SMILES for (E)-1-chloro-1-fluorohept-1-ene is CCCCC/C=C(\F)Cl.
What is the InChIKey of (E)-1-chloro-1-fluorohept-1-ene?
The InChIKey is YYBJNJAXEZNZLT-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12ClF/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3/b7-6-.
What are the key properties of (E)-1-chloro-1-fluorohept-1-ene?
(E)-1-chloro-1-fluorohept-1-ene has a molecular weight of 150.62 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-1-fluorohept-1-ene is sourced from PubChem (CID 173273597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).