(Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol

C9H17FO2 — CID 143076802

IUPAC(Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol
SMILESC/C=C(\OC(C)C)C(O)C(C)F
InChIInChI=1S/C9H17FO2/c1-5-8(12-6(2)3)9(11)7(4)10/h5-7,9,11H,1-4H3/b8-5-
InChIKeySJUGZSLQMAIYNR-YVMONPNESA-N
MW176.23 g/mol
LogP2.03
Rot. Bonds4

About (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol

(Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol (PubChem CID 143076802) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol.

Molecular Properties

Compound Name(Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol
PubChem CID143076802
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name(Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol
SMILESC/C=C(\OC(C)C)C(O)C(C)F
InChIInChI=1S/C9H17FO2/c1-5-8(12-6(2)3)9(11)7(4)10/h5-7,9,11H,1-4H3/b8-5-
InChIKeySJUGZSLQMAIYNR-YVMONPNESA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol?
The IUPAC name of (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol (CID 143076802) is (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol.
What is the SMILES notation for (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol?
The canonical SMILES for (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol is C/C=C(\OC(C)C)C(O)C(C)F.
What is the InChIKey of (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol?
The InChIKey is SJUGZSLQMAIYNR-YVMONPNESA-N. The full InChI is InChI=1S/C9H17FO2/c1-5-8(12-6(2)3)9(11)7(4)10/h5-7,9,11H,1-4H3/b8-5-.
What are the key properties of (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol?
(Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol has a molecular weight of 176.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-4-propan-2-yloxyhex-4-en-3-ol is sourced from PubChem (CID 143076802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).