1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene

C14H14F2O — CID 152846017

IUPAC1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
SMILESFc1c(/C=C/C2CC2)ccc(OC2CC2)c1F
InChIInChI=1S/C14H14F2O/c15-13-10(4-3-9-1-2-9)5-8-12(14(13)16)17-11-6-7-11/h3-5,8-9,11H,1-2,6-7H2/b4-3+
InChIKeyTUBDKSBQKWMTPP-ONEGZZNKSA-N
MW236.26 g/mol
LogP3.93
Rot. Bonds4

About 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene

1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene (PubChem CID 152846017) has the molecular formula C14H14F2O and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
PubChem CID152846017
Molecular FormulaC14H14F2O
Molecular Weight236.26 g/mol
Exact Mass236.10
IUPAC Name1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
SMILESFc1c(/C=C/C2CC2)ccc(OC2CC2)c1F
InChIInChI=1S/C14H14F2O/c15-13-10(4-3-9-1-2-9)5-8-12(14(13)16)17-11-6-7-11/h3-5,8-9,11H,1-2,6-7H2/b4-3+
InChIKeyTUBDKSBQKWMTPP-ONEGZZNKSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclobutylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
CID 147615512
1-[4-[(E)-2-(2,3-difluoro-4-prop-2-enoxyphenyl)ethenyl]cyclohexyl]-4-(4-ethoxycyclohexyl)-2,3-difluorobenzene
CID 89430040
1-butoxy-4-[4-[(E)-2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89429620
1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 58140557
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-3-cyclopentylprop-2-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 161240054
1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene
CID 147649188
1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
CID 158095086
1-but-3-enoxy-4-[(E)-2-[4-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89430679
1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
CID 158177850
3-chloro-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]benzene
CID 143286528
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-3-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429645

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene (CID 152846017) is 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene is Fc1c(/C=C/C2CC2)ccc(OC2CC2)c1F.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene?
The InChIKey is TUBDKSBQKWMTPP-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H14F2O/c15-13-10(4-3-9-1-2-9)5-8-12(14(13)16)17-11-6-7-11/h3-5,8-9,11H,1-2,6-7H2/b4-3+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene?
1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene has a molecular weight of 236.26 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene is sourced from PubChem (CID 152846017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).