1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene

C9H7F5O — CID 59933429

IUPAC1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
SMILESCC(F)(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7F5O/c1-8(10,11)15-7-4-2-6(3-5-7)9(12,13)14/h2-5H,1H3
InChIKeyLZXGHECGDBVFON-UHFFFAOYSA-N
MW226.14 g/mol
LogP3.70
Rot. Bonds2

About 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene

1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene (PubChem CID 59933429) has the molecular formula C9H7F5O and a molecular weight of 226.14 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
PubChem CID59933429
Molecular FormulaC9H7F5O
Molecular Weight226.14 g/mol
Exact Mass226.04
IUPAC Name1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
SMILESCC(F)(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7F5O/c1-8(10,11)15-7-4-2-6(3-5-7)9(12,13)14/h2-5H,1H3
InChIKeyLZXGHECGDBVFON-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 175409271
1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene
CID 173445400
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
CID 174144064
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
1-tert-butyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzene
CID 13358025
[4-[(2-methylpropan-2-yl)oxy]phenyl] 4-(trifluoromethyl)benzenesulfonate
CID 23504217
methyl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594151
1-(3,3,3-trifluoro-2,2-dimethylpropoxy)-4-(trifluoromethyl)benzene
CID 89280701
[4-(trifluoromethyl)phenyl] carbonofluoridate
CID 10774714
2-methyl-N-propyl-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354231

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene (CID 59933429) is 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene is CC(F)(F)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene?
The InChIKey is LZXGHECGDBVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O/c1-8(10,11)15-7-4-2-6(3-5-7)9(12,13)14/h2-5H,1H3.
What are the key properties of 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene?
1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene has a molecular weight of 226.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 59933429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).