4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene

C12H12F2 — CID 59067254

IUPAC4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
SMILESCC1C2CCc3c(F)ccc(F)c3C12
InChIInChI=1S/C12H12F2/c1-6-7-2-3-8-9(13)4-5-10(14)12(8)11(6)7/h4-7,11H,2-3H2,1H3
InChIKeyPIWUZOSMTIRXSE-UHFFFAOYSA-N
MW194.22 g/mol
LogP3.26
Rot. Bonds

About 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene

4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene (PubChem CID 59067254) has the molecular formula C12H12F2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
PubChem CID59067254
Molecular FormulaC12H12F2
Molecular Weight194.22 g/mol
Exact Mass194.09
IUPAC Name4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
SMILESCC1C2CCc3c(F)ccc(F)c3C12
InChIInChI=1S/C12H12F2/c1-6-7-2-3-8-9(13)4-5-10(14)12(8)11(6)7/h4-7,11H,2-3H2,1H3
InChIKeyPIWUZOSMTIRXSE-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene (CID 59067254) is 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene is CC1C2CCc3c(F)ccc(F)c3C12.
What is the InChIKey of 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The InChIKey is PIWUZOSMTIRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2/c1-6-7-2-3-8-9(13)4-5-10(14)12(8)11(6)7/h4-7,11H,2-3H2,1H3.
What are the key properties of 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene has a molecular weight of 194.22 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-1-methyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 59067254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).