4,4-difluoro-4-phenoxybutan-1-ol

C10H12F2O2 — CID 86066774

IUPAC4,4-difluoro-4-phenoxybutan-1-ol
SMILESOCCCC(F)(F)Oc1ccccc1
InChIInChI=1S/C10H12F2O2/c11-10(12,7-4-8-13)14-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2
InChIKeyRSTURNBAJGEQPA-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.43
Rot. Bonds5

About 4,4-difluoro-4-phenoxybutan-1-ol

4,4-difluoro-4-phenoxybutan-1-ol (PubChem CID 86066774) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 4,4-difluoro-4-phenoxybutan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-4-phenoxybutan-1-ol
PubChem CID86066774
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name4,4-difluoro-4-phenoxybutan-1-ol
SMILESOCCCC(F)(F)Oc1ccccc1
InChIInChI=1S/C10H12F2O2/c11-10(12,7-4-8-13)14-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2
InChIKeyRSTURNBAJGEQPA-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-1,1-difluoroethoxy)benzene
CID 141224533
3-methyl-3-phenoxybutan-1-ol
CID 59317089
7-phenoxyheptan-1-ol
CID 15856264
trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019
5-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 174874438
benzene;butane-1,4-diol
CID 141209769
2-fluoro-2-phenoxypentanoic acid
CID 70113612
6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
CID 104856727
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
13,13,13-triphenyltridecan-1-ol
CID 150406449

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-4-phenoxybutan-1-ol?
The IUPAC name of 4,4-difluoro-4-phenoxybutan-1-ol (CID 86066774) is 4,4-difluoro-4-phenoxybutan-1-ol.
What is the SMILES notation for 4,4-difluoro-4-phenoxybutan-1-ol?
The canonical SMILES for 4,4-difluoro-4-phenoxybutan-1-ol is OCCCC(F)(F)Oc1ccccc1.
What is the InChIKey of 4,4-difluoro-4-phenoxybutan-1-ol?
The InChIKey is RSTURNBAJGEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c11-10(12,7-4-8-13)14-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2.
What are the key properties of 4,4-difluoro-4-phenoxybutan-1-ol?
4,4-difluoro-4-phenoxybutan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-4-phenoxybutan-1-ol is sourced from PubChem (CID 86066774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).