1-propoxy-3,5-bis(trifluoromethyl)benzene

C11H10F6O — CID 23395147

IUPAC1-propoxy-3,5-bis(trifluoromethyl)benzene
SMILESCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H10F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h4-6H,2-3H2,1H3
InChIKeyMQAXEOKVHDKGBQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP4.51
Rot. Bonds3

About 1-propoxy-3,5-bis(trifluoromethyl)benzene

1-propoxy-3,5-bis(trifluoromethyl)benzene (PubChem CID 23395147) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-propoxy-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-propoxy-3,5-bis(trifluoromethyl)benzene
PubChem CID23395147
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name1-propoxy-3,5-bis(trifluoromethyl)benzene
SMILESCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H10F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h4-6H,2-3H2,1H3
InChIKeyMQAXEOKVHDKGBQ-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propoxy-5-(trifluoromethyl)phenol
CID 118342805
3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
3-butoxy-5-(trifluoromethyl)benzoic acid
CID 118349151
1-butoxy-3,5-ditert-butylbenzene
CID 57175272
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene
CID 162498721
3-(3,3-dimethylbutoxy)-5-(trifluoromethyl)aniline
CID 82994867
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
1-(3-bromopropoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 162393577
1-butan-2-yloxy-3,5-bis(trifluoromethyl)benzene
CID 145030942
N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide
CID 123476859

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-propoxy-3,5-bis(trifluoromethyl)benzene (CID 23395147) is 1-propoxy-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-propoxy-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-propoxy-3,5-bis(trifluoromethyl)benzene is CCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-propoxy-3,5-bis(trifluoromethyl)benzene?
The InChIKey is MQAXEOKVHDKGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h4-6H,2-3H2,1H3.
What are the key properties of 1-propoxy-3,5-bis(trifluoromethyl)benzene?
1-propoxy-3,5-bis(trifluoromethyl)benzene has a molecular weight of 272.19 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 23395147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).