3-[3-(trifluoromethoxy)phenyl]pentan-3-ol

C12H15F3O2 — CID 62917897

IUPAC3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
SMILESCCC(O)(CC)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-3-11(16,4-2)9-6-5-7-10(8-9)17-12(13,14)15/h5-8,16H,3-4H2,1-2H3
InChIKeyYWQQSVBJVHVJKA-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.59
Rot. Bonds4

About 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol

3-[3-(trifluoromethoxy)phenyl]pentan-3-ol (PubChem CID 62917897) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
PubChem CID62917897
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
SMILESCCC(O)(CC)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-3-11(16,4-2)9-6-5-7-10(8-9)17-12(13,14)15/h5-8,16H,3-4H2,1-2H3
InChIKeyYWQQSVBJVHVJKA-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
4-methoxy-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 55131912
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 62916357
1-(3-methylpenta-1,4-dien-3-yl)-3-(trifluoromethoxy)benzene
CID 169282369
ethane;3-(trifluoromethoxy)phenol
CID 143201974
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302
N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81022570
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
[3-(3-hydroxypentan-3-yl)phenyl] cyclohexanecarboxylate
CID 176725511

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol (CID 62917897) is 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol is CCC(O)(CC)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol?
The InChIKey is YWQQSVBJVHVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-3-11(16,4-2)9-6-5-7-10(8-9)17-12(13,14)15/h5-8,16H,3-4H2,1-2H3.
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol?
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol has a molecular weight of 248.24 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)phenyl]pentan-3-ol is sourced from PubChem (CID 62917897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).