cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol

C11H10F4O — CID 115351077

IUPACcyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(F)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H10F4O/c12-9-4-7(10(16)6-1-2-6)3-8(5-9)11(13,14)15/h3-6,10,16H,1-2H2
InChIKeyPSRWQJOHBYQZDZ-UHFFFAOYSA-N
MW234.19 g/mol
LogP3.29
Rot. Bonds2

About cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol

cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 115351077) has the molecular formula C11H10F4O and a molecular weight of 234.19 g/mol. Its IUPAC name is cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namecyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
PubChem CID115351077
Molecular FormulaC11H10F4O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Namecyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(F)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H10F4O/c12-9-4-7(10(16)6-1-2-6)3-8(5-9)11(13,14)15/h3-6,10,16H,1-2H2
InChIKeyPSRWQJOHBYQZDZ-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol (CID 115351077) is cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol is OC(c1cc(F)cc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is PSRWQJOHBYQZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O/c12-9-4-7(10(16)6-1-2-6)3-8(5-9)11(13,14)15/h3-6,10,16H,1-2H2.
What are the key properties of cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 234.19 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115351077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).