2-(4-fluorooctyl)phenol

C14H21FO — CID 70022648

IUPAC2-(4-fluorooctyl)phenol
SMILESCCCCC(F)CCCc1ccccc1O
InChIInChI=1S/C14H21FO/c1-2-3-9-13(15)10-6-8-12-7-4-5-11-14(12)16/h4-5,7,11,13,16H,2-3,6,8-10H2,1H3
InChIKeyCZFUCAXWTMTXMX-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.24
Rot. Bonds7

About 2-(4-fluorooctyl)phenol

2-(4-fluorooctyl)phenol (PubChem CID 70022648) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(4-fluorooctyl)phenol.

Molecular Properties

Compound Name2-(4-fluorooctyl)phenol
PubChem CID70022648
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name2-(4-fluorooctyl)phenol
SMILESCCCCC(F)CCCc1ccccc1O
InChIInChI=1S/C14H21FO/c1-2-3-9-13(15)10-6-8-12-7-4-5-11-14(12)16/h4-5,7,11,13,16H,2-3,6,8-10H2,1H3
InChIKeyCZFUCAXWTMTXMX-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorooctyl)phenol?
The IUPAC name of 2-(4-fluorooctyl)phenol (CID 70022648) is 2-(4-fluorooctyl)phenol.
What is the SMILES notation for 2-(4-fluorooctyl)phenol?
The canonical SMILES for 2-(4-fluorooctyl)phenol is CCCCC(F)CCCc1ccccc1O.
What is the InChIKey of 2-(4-fluorooctyl)phenol?
The InChIKey is CZFUCAXWTMTXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-2-3-9-13(15)10-6-8-12-7-4-5-11-14(12)16/h4-5,7,11,13,16H,2-3,6,8-10H2,1H3.
What are the key properties of 2-(4-fluorooctyl)phenol?
2-(4-fluorooctyl)phenol has a molecular weight of 224.32 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorooctyl)phenol is sourced from PubChem (CID 70022648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).