4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene

C14H14F4O — CID 118196153

IUPAC4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene
SMILESFc1cc(C(C2CC2)C2CC2)ccc1OC(F)(F)F
InChIInChI=1S/C14H14F4O/c15-11-7-10(5-6-12(11)19-14(16,17)18)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2
InChIKeyPIRAVPGIOMECKK-UHFFFAOYSA-N
MW274.26 g/mol
LogP4.63
Rot. Bonds4

About 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene

4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene (PubChem CID 118196153) has the molecular formula C14H14F4O and a molecular weight of 274.26 g/mol. Its IUPAC name is 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene
PubChem CID118196153
Molecular FormulaC14H14F4O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene
SMILESFc1cc(C(C2CC2)C2CC2)ccc1OC(F)(F)F
InChIInChI=1S/C14H14F4O/c15-11-7-10(5-6-12(11)19-14(16,17)18)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2
InChIKeyPIRAVPGIOMECKK-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol
CID 171263546
(1R,2S)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171269220
(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171227912
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(1S)-2,2-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249160
(1S)-2,2,3,3,3-pentafluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171311762
(R)-(2,6-difluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 129411595
(2R,3R)-3-amino-1,1,1-trifluoro-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-ol
CID 171263558
4-[azido-[3-(trifluoromethyl)cyclobutyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 166045522
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylbutan-1-amine
CID 171227924
(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol;hydrochloride
CID 121361674
(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171227886

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene (CID 118196153) is 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene is Fc1cc(C(C2CC2)C2CC2)ccc1OC(F)(F)F.
What is the InChIKey of 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene?
The InChIKey is PIRAVPGIOMECKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O/c15-11-7-10(5-6-12(11)19-14(16,17)18)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2.
What are the key properties of 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene?
4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene has a molecular weight of 274.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclopropylmethyl)-2-fluoro-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 118196153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).