1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene

C13H16F2O — CID 176962469

IUPAC1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene
SMILESCOc1cc(F)cc(F)c1C1(C(C)C)CC1
InChIInChI=1S/C13H16F2O/c1-8(2)13(4-5-13)12-10(15)6-9(14)7-11(12)16-3/h6-8H,4-5H2,1-3H3
InChIKeyJLHOIHJSBVUSHD-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.66
Rot. Bonds3

About 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene

1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene (PubChem CID 176962469) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene.

Molecular Properties

Compound Name1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene
PubChem CID176962469
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene
SMILESCOc1cc(F)cc(F)c1C1(C(C)C)CC1
InChIInChI=1S/C13H16F2O/c1-8(2)13(4-5-13)12-10(15)6-9(14)7-11(12)16-3/h6-8H,4-5H2,1-3H3
InChIKeyJLHOIHJSBVUSHD-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409100
5-fluoro-2-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 117287688
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
CID 156645255
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
1-bromo-5-[bromo-(1-phenylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396581
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene?
The IUPAC name of 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene (CID 176962469) is 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene.
What is the SMILES notation for 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene?
The canonical SMILES for 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene is COc1cc(F)cc(F)c1C1(C(C)C)CC1.
What is the InChIKey of 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene?
The InChIKey is JLHOIHJSBVUSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-8(2)13(4-5-13)12-10(15)6-9(14)7-11(12)16-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene?
1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene has a molecular weight of 226.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-3-methoxy-2-(1-propan-2-ylcyclopropyl)benzene is sourced from PubChem (CID 176962469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).