(Z)-1-ethoxy-1-fluorobut-1-ene

C6H11FO — CID 173135435

IUPAC(Z)-1-ethoxy-1-fluorobut-1-ene
SMILESCC/C=C(\F)OCC
InChIInChI=1S/C6H11FO/c1-3-5-6(7)8-4-2/h5H,3-4H2,1-2H3/b6-5+
InChIKeyNYVUHAQIHNJYNU-AATRIKPKSA-N
MW118.15 g/mol
LogP2.24
Rot. Bonds3

About (Z)-1-ethoxy-1-fluorobut-1-ene

(Z)-1-ethoxy-1-fluorobut-1-ene (PubChem CID 173135435) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is (Z)-1-ethoxy-1-fluorobut-1-ene.

Molecular Properties

Compound Name(Z)-1-ethoxy-1-fluorobut-1-ene
PubChem CID173135435
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name(Z)-1-ethoxy-1-fluorobut-1-ene
SMILESCC/C=C(\F)OCC
InChIInChI=1S/C6H11FO/c1-3-5-6(7)8-4-2/h5H,3-4H2,1-2H3/b6-5+
InChIKeyNYVUHAQIHNJYNU-AATRIKPKSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-1-fluorobut-1-en-1-amine
CID 174005766
ethyl (Z)-2-fluoropent-2-enoate
CID 14691806
(Z)-1-chloro-1-ethoxybut-1-ene
CID 173135541
1,1-difluorobut-1-ene;propane
CID 54149650
ethyl (E)-2-methylpent-2-enoate
CID 6436311
(Z)-2-ethoxypent-2-enamide
CID 87204332
ethyl 2-(trifluoromethyl)pent-2-enoate
CID 141220106
(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol
CID 143076476
1-fluorobut-1-enylhydrazine
CID 174399831
1,1-diethoxy-2,2-difluoroethene
CID 154100559
3-ethenyl-2-ethoxyhexa-1,3-diene
CID 123543199
ethyl 2-(2,2-difluoroacetyl)pent-2-enoate
CID 91525911

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-1-fluorobut-1-ene?
The IUPAC name of (Z)-1-ethoxy-1-fluorobut-1-ene (CID 173135435) is (Z)-1-ethoxy-1-fluorobut-1-ene.
What is the SMILES notation for (Z)-1-ethoxy-1-fluorobut-1-ene?
The canonical SMILES for (Z)-1-ethoxy-1-fluorobut-1-ene is CC/C=C(\F)OCC.
What is the InChIKey of (Z)-1-ethoxy-1-fluorobut-1-ene?
The InChIKey is NYVUHAQIHNJYNU-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11FO/c1-3-5-6(7)8-4-2/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of (Z)-1-ethoxy-1-fluorobut-1-ene?
(Z)-1-ethoxy-1-fluorobut-1-ene has a molecular weight of 118.15 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-1-fluorobut-1-ene is sourced from PubChem (CID 173135435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).