1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol

C11H11F5O2 — CID 64568016

IUPAC1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11F5O2/c12-10(13)18-8-3-1-7(2-4-8)9(17)5-6-11(14,15)16/h1-4,9-10,17H,5-6H2
InChIKeyYMPWZNXUJVMYQC-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.66
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol

1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol (PubChem CID 64568016) has the molecular formula C11H11F5O2 and a molecular weight of 270.20 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
PubChem CID64568016
Molecular FormulaC11H11F5O2
Molecular Weight270.20 g/mol
Exact Mass270.07
IUPAC Name1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11F5O2/c12-10(13)18-8-3-1-7(2-4-8)9(17)5-6-11(14,15)16/h1-4,9-10,17H,5-6H2
InChIKeyYMPWZNXUJVMYQC-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
1-[3-(difluoromethoxy)-4-methoxyphenyl]-4,4,4-trifluorobutan-1-ol
CID 64564930
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
CID 65150516
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
4-chloro-1-[4-(difluoromethoxy)phenyl]butane-1,2-diol
CID 171894158
(2S,3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171268477
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
CID 106848279
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol (CID 64568016) is 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol?
The InChIKey is YMPWZNXUJVMYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5O2/c12-10(13)18-8-3-1-7(2-4-8)9(17)5-6-11(14,15)16/h1-4,9-10,17H,5-6H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol?
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol has a molecular weight of 270.20 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 64568016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).