[5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol

C11H12ClFO2 — CID 89443996

IUPAC[5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol
SMILESC=C(CF)COc1ccc(Cl)cc1CO
InChIInChI=1S/C11H12ClFO2/c1-8(5-13)7-15-11-3-2-10(12)4-9(11)6-14/h2-4,14H,1,5-7H2
InChIKeyMRCUUOALECKSOD-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.74
Rot. Bonds5

About [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol

[5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol (PubChem CID 89443996) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol
PubChem CID89443996
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name[5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol
SMILESC=C(CF)COc1ccc(Cl)cc1CO
InChIInChI=1S/C11H12ClFO2/c1-8(5-13)7-15-11-3-2-10(12)4-9(11)6-14/h2-4,14H,1,5-7H2
InChIKeyMRCUUOALECKSOD-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol?
The IUPAC name of [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol (CID 89443996) is [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol is C=C(CF)COc1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol?
The InChIKey is MRCUUOALECKSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-8(5-13)7-15-11-3-2-10(12)4-9(11)6-14/h2-4,14H,1,5-7H2.
What are the key properties of [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol?
[5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol has a molecular weight of 230.67 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[2-(fluoromethyl)prop-2-enoxy]phenyl]methanol is sourced from PubChem (CID 89443996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).