4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol

C12H14F4O2 — CID 80605943

IUPAC4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
SMILESCC(O)(CCc1ccc(OC(F)F)cc1)C(F)F
InChIInChI=1S/C12H14F4O2/c1-12(17,10(13)14)7-6-8-2-4-9(5-3-8)18-11(15)16/h2-5,10-11,17H,6-7H2,1H3
InChIKeyYUGQKMQDWKKABC-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.24
Rot. Bonds6

About 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol

4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol (PubChem CID 80605943) has the molecular formula C12H14F4O2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
PubChem CID80605943
Molecular FormulaC12H14F4O2
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Name4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
SMILESCC(O)(CCc1ccc(OC(F)F)cc1)C(F)F
InChIInChI=1S/C12H14F4O2/c1-12(17,10(13)14)7-6-8-2-4-9(5-3-8)18-11(15)16/h2-5,10-11,17H,6-7H2,1H3
InChIKeyYUGQKMQDWKKABC-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 43754267
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
CID 65236992
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanenitrile
CID 43114983
ethyl 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanoate
CID 60786071
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol (CID 80605943) is 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol is CC(O)(CCc1ccc(OC(F)F)cc1)C(F)F.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol?
The InChIKey is YUGQKMQDWKKABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4O2/c1-12(17,10(13)14)7-6-8-2-4-9(5-3-8)18-11(15)16/h2-5,10-11,17H,6-7H2,1H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol?
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol has a molecular weight of 266.23 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol is sourced from PubChem (CID 80605943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).