4-fluoro-3,3,4-trimethylhex-5-en-2-ol

C9H17FO — CID 166669070

IUPAC4-fluoro-3,3,4-trimethylhex-5-en-2-ol
SMILESC=CC(C)(F)C(C)(C)C(C)O
InChIInChI=1S/C9H17FO/c1-6-9(5,10)8(3,4)7(2)11/h6-7,11H,1H2,2-5H3
InChIKeyRFPAWSDKPATOQW-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.31
Rot. Bonds3

About 4-fluoro-3,3,4-trimethylhex-5-en-2-ol

4-fluoro-3,3,4-trimethylhex-5-en-2-ol (PubChem CID 166669070) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 4-fluoro-3,3,4-trimethylhex-5-en-2-ol.

Molecular Properties

Compound Name4-fluoro-3,3,4-trimethylhex-5-en-2-ol
PubChem CID166669070
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name4-fluoro-3,3,4-trimethylhex-5-en-2-ol
SMILESC=CC(C)(F)C(C)(C)C(C)O
InChIInChI=1S/C9H17FO/c1-6-9(5,10)8(3,4)7(2)11/h6-7,11H,1H2,2-5H3
InChIKeyRFPAWSDKPATOQW-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,3,4-trimethylhex-5-en-2-ol?
The IUPAC name of 4-fluoro-3,3,4-trimethylhex-5-en-2-ol (CID 166669070) is 4-fluoro-3,3,4-trimethylhex-5-en-2-ol.
What is the SMILES notation for 4-fluoro-3,3,4-trimethylhex-5-en-2-ol?
The canonical SMILES for 4-fluoro-3,3,4-trimethylhex-5-en-2-ol is C=CC(C)(F)C(C)(C)C(C)O.
What is the InChIKey of 4-fluoro-3,3,4-trimethylhex-5-en-2-ol?
The InChIKey is RFPAWSDKPATOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-6-9(5,10)8(3,4)7(2)11/h6-7,11H,1H2,2-5H3.
What are the key properties of 4-fluoro-3,3,4-trimethylhex-5-en-2-ol?
4-fluoro-3,3,4-trimethylhex-5-en-2-ol has a molecular weight of 160.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,3,4-trimethylhex-5-en-2-ol is sourced from PubChem (CID 166669070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).