(3R,4R)-3-butoxy-4-fluorohex-1-ene

C10H19FO — CID 88571411

IUPAC(3R,4R)-3-butoxy-4-fluorohex-1-ene
SMILESC=C[C@@H](OCCCC)[C@H](F)CC
InChIInChI=1S/C10H19FO/c1-4-7-8-12-10(6-3)9(11)5-2/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBTYISYKANMYILZ-NXEZZACHSA-N
MW174.26 g/mol
LogP3.11
Rot. Bonds7

About (3R,4R)-3-butoxy-4-fluorohex-1-ene

(3R,4R)-3-butoxy-4-fluorohex-1-ene (PubChem CID 88571411) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is (3R,4R)-3-butoxy-4-fluorohex-1-ene.

Molecular Properties

Compound Name(3R,4R)-3-butoxy-4-fluorohex-1-ene
PubChem CID88571411
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name(3R,4R)-3-butoxy-4-fluorohex-1-ene
SMILESC=C[C@@H](OCCCC)[C@H](F)CC
InChIInChI=1S/C10H19FO/c1-4-7-8-12-10(6-3)9(11)5-2/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBTYISYKANMYILZ-NXEZZACHSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-butoxy-4-fluorohex-1-ene?
The IUPAC name of (3R,4R)-3-butoxy-4-fluorohex-1-ene (CID 88571411) is (3R,4R)-3-butoxy-4-fluorohex-1-ene.
What is the SMILES notation for (3R,4R)-3-butoxy-4-fluorohex-1-ene?
The canonical SMILES for (3R,4R)-3-butoxy-4-fluorohex-1-ene is C=C[C@@H](OCCCC)[C@H](F)CC.
What is the InChIKey of (3R,4R)-3-butoxy-4-fluorohex-1-ene?
The InChIKey is BTYISYKANMYILZ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19FO/c1-4-7-8-12-10(6-3)9(11)5-2/h6,9-10H,3-5,7-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-3-butoxy-4-fluorohex-1-ene?
(3R,4R)-3-butoxy-4-fluorohex-1-ene has a molecular weight of 174.26 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-butoxy-4-fluorohex-1-ene is sourced from PubChem (CID 88571411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).