3-(3-fluorophenyl)oct-6-yn-3-ol

C14H17FO — CID 114872593

IUPAC3-(3-fluorophenyl)oct-6-yn-3-ol
SMILESCC#CCCC(O)(CC)c1cccc(F)c1
InChIInChI=1S/C14H17FO/c1-3-5-6-10-14(16,4-2)12-8-7-9-13(15)11-12/h7-9,11,16H,4,6,10H2,1-2H3
InChIKeyOYWDFNNBPSGLHQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.23
Rot. Bonds4

About 3-(3-fluorophenyl)oct-6-yn-3-ol

3-(3-fluorophenyl)oct-6-yn-3-ol (PubChem CID 114872593) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)oct-6-yn-3-ol.

Molecular Properties

Compound Name3-(3-fluorophenyl)oct-6-yn-3-ol
PubChem CID114872593
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name3-(3-fluorophenyl)oct-6-yn-3-ol
SMILESCC#CCCC(O)(CC)c1cccc(F)c1
InChIInChI=1S/C14H17FO/c1-3-5-6-10-14(16,4-2)12-8-7-9-13(15)11-12/h7-9,11,16H,4,6,10H2,1-2H3
InChIKeyOYWDFNNBPSGLHQ-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 59612023
CID 59612023
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
3-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114872328
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
1-(5-ethyl-2-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872587
1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol
CID 114872482
1-(3-chloro-4-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872585
2-(3-bromophenyl)hept-5-yn-2-ol
CID 104809276
3-(3-fluorophenyl)pent-1-en-3-ol
CID 114872435
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
2-(2-fluorophenyl)hept-5-yn-2-ol
CID 104809268

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)oct-6-yn-3-ol?
The IUPAC name of 3-(3-fluorophenyl)oct-6-yn-3-ol (CID 114872593) is 3-(3-fluorophenyl)oct-6-yn-3-ol.
What is the SMILES notation for 3-(3-fluorophenyl)oct-6-yn-3-ol?
The canonical SMILES for 3-(3-fluorophenyl)oct-6-yn-3-ol is CC#CCCC(O)(CC)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)oct-6-yn-3-ol?
The InChIKey is OYWDFNNBPSGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-3-5-6-10-14(16,4-2)12-8-7-9-13(15)11-12/h7-9,11,16H,4,6,10H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)oct-6-yn-3-ol?
3-(3-fluorophenyl)oct-6-yn-3-ol has a molecular weight of 220.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)oct-6-yn-3-ol is sourced from PubChem (CID 114872593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).