(E)-2-(3-fluoropropoxy)but-2-ene

C7H13FO — CID 142369968

IUPAC(E)-2-(3-fluoropropoxy)but-2-ene
SMILESC/C=C(\C)OCCCF
InChIInChI=1S/C7H13FO/c1-3-7(2)9-6-4-5-8/h3H,4-6H2,1-2H3/b7-3+
InChIKeyAEDWOIDUTHFVJZ-XVNBXDOJSA-N
MW132.18 g/mol
LogP2.29
Rot. Bonds4

About (E)-2-(3-fluoropropoxy)but-2-ene

(E)-2-(3-fluoropropoxy)but-2-ene (PubChem CID 142369968) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is (E)-2-(3-fluoropropoxy)but-2-ene.

Molecular Properties

Compound Name(E)-2-(3-fluoropropoxy)but-2-ene
PubChem CID142369968
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(E)-2-(3-fluoropropoxy)but-2-ene
SMILESC/C=C(\C)OCCCF
InChIInChI=1S/C7H13FO/c1-3-7(2)9-6-4-5-8/h3H,4-6H2,1-2H3/b7-3+
InChIKeyAEDWOIDUTHFVJZ-XVNBXDOJSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
CID 87106827
[(Z)-but-2-en-2-yl]oxymethanamine
CID 141115606
but-2-en-2-yloxymethanamine
CID 54051343
1-but-2-en-2-yloxy-3-methylbutane
CID 123230570
2-ethoxybut-2-ene;silane
CID 174428196
bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate
CID 171482069
(E)-2-prop-2-enoxybut-2-ene
CID 102099599
2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium
CID 174009854
4-(3-fluoropropoxy)-3,5-dimethylbenzenecarbothioamide
CID 81105439
2-[(Z)-1-iodoprop-1-en-2-yl]oxyethanamine
CID 58346216
3-fluoropropyl N-sulfonylcarbamate
CID 175211437
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-fluoropropoxy)but-2-ene?
The IUPAC name of (E)-2-(3-fluoropropoxy)but-2-ene (CID 142369968) is (E)-2-(3-fluoropropoxy)but-2-ene.
What is the SMILES notation for (E)-2-(3-fluoropropoxy)but-2-ene?
The canonical SMILES for (E)-2-(3-fluoropropoxy)but-2-ene is C/C=C(\C)OCCCF.
What is the InChIKey of (E)-2-(3-fluoropropoxy)but-2-ene?
The InChIKey is AEDWOIDUTHFVJZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H13FO/c1-3-7(2)9-6-4-5-8/h3H,4-6H2,1-2H3/b7-3+.
What are the key properties of (E)-2-(3-fluoropropoxy)but-2-ene?
(E)-2-(3-fluoropropoxy)but-2-ene has a molecular weight of 132.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-fluoropropoxy)but-2-ene is sourced from PubChem (CID 142369968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).