3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile

C10H4F7NO — CID 102722144

IUPAC3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
SMILESN#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)c(F)c1
InChIInChI=1S/C10H4F7NO/c11-6-3-5(4-18)1-2-7(6)19-8(9(12,13)14)10(15,16)17/h1-3,8H
InChIKeyQMJHDZLSPMMAOT-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.57
Rot. Bonds2

About 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile

3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile (PubChem CID 102722144) has the molecular formula C10H4F7NO and a molecular weight of 287.13 g/mol. Its IUPAC name is 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
PubChem CID102722144
Molecular FormulaC10H4F7NO
Molecular Weight287.13 g/mol
Exact Mass287.02
IUPAC Name3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
SMILESN#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)c(F)c1
InChIInChI=1S/C10H4F7NO/c11-6-3-5(4-18)1-2-7(6)19-8(9(12,13)14)10(15,16)17/h1-3,8H
InChIKeyQMJHDZLSPMMAOT-UHFFFAOYSA-N
XLogP3.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-3,3,3-trifluoropropoxy)-3-fluorobenzonitrile
CID 107670354
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
CID 102722146
3-fluoro-4-(4-oxopentan-2-yloxy)benzonitrile
CID 107666517
(4-cyano-2-fluorophenoxy)boronic acid
CID 142767760
4-(3-bromo-2-methylpropoxy)-3-fluorobenzonitrile
CID 107670360
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
2-(4-cyano-2-fluorophenoxy)-3-methoxypropanoic acid
CID 107670033
3-fluoro-4-(2-methylbutoxy)benzonitrile
CID 103792131
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
4-(difluoromethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467817
4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
CID 43657436

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile?
The IUPAC name of 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile (CID 102722144) is 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile?
The canonical SMILES for 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile is N#Cc1ccc(OC(C(F)(F)F)C(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile?
The InChIKey is QMJHDZLSPMMAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F7NO/c11-6-3-5(4-18)1-2-7(6)19-8(9(12,13)14)10(15,16)17/h1-3,8H.
What are the key properties of 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile?
3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile has a molecular weight of 287.13 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile is sourced from PubChem (CID 102722144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).