1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene

C11H12F4O — CID 142625431

IUPAC1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
SMILESCC(F)(F)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F4O/c1-11(14,15)7-6-8-2-4-9(5-3-8)16-10(12)13/h2-5,10H,6-7H2,1H3
InChIKeyDQRWGNLBIODROG-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.88
Rot. Bonds5

About 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene

1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene (PubChem CID 142625431) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
PubChem CID142625431
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
SMILESCC(F)(F)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F4O/c1-11(14,15)7-6-8-2-4-9(5-3-8)16-10(12)13/h2-5,10H,6-7H2,1H3
InChIKeyDQRWGNLBIODROG-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanenitrile
CID 43114983
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene?
The IUPAC name of 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene (CID 142625431) is 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene.
What is the SMILES notation for 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene?
The canonical SMILES for 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene is CC(F)(F)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene?
The InChIKey is DQRWGNLBIODROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-11(14,15)7-6-8-2-4-9(5-3-8)16-10(12)13/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene?
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene has a molecular weight of 236.21 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene is sourced from PubChem (CID 142625431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).