2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene

C12H14F2O — CID 164786407

IUPAC2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene
SMILESCC(C)c1cc(F)cc(F)c1OC1CC1
InChIInChI=1S/C12H14F2O/c1-7(2)10-5-8(13)6-11(14)12(10)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyZYYBCSRVZBSGNR-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.63
Rot. Bonds3

About 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene

2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene (PubChem CID 164786407) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene
PubChem CID164786407
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene
SMILESCC(C)c1cc(F)cc(F)c1OC1CC1
InChIInChI=1S/C12H14F2O/c1-7(2)10-5-8(13)6-11(14)12(10)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyZYYBCSRVZBSGNR-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68508942
1-methyl-4-[1-(2,4,6-trifluorophenoxy)ethyl]piperidine
CID 146589184
1-(2-cyclopropyloxy-4,5-difluorophenyl)ethanethiol
CID 167006121
[4-fluoro-2,6-di(propan-2-yl)phenyl] cyanate
CID 137403019
1-[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 114058879
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296
2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117403462
1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117489126

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene?
The IUPAC name of 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene (CID 164786407) is 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene.
What is the SMILES notation for 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene?
The canonical SMILES for 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene is CC(C)c1cc(F)cc(F)c1OC1CC1.
What is the InChIKey of 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene?
The InChIKey is ZYYBCSRVZBSGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-7(2)10-5-8(13)6-11(14)12(10)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene?
2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene has a molecular weight of 212.24 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-1,5-difluoro-3-propan-2-ylbenzene is sourced from PubChem (CID 164786407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).