1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene

C12H12F2 — CID 132609163

IUPAC1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
SMILESFC(F)C1C2CCc3ccccc3C21
InChIInChI=1S/C12H12F2/c13-12(14)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-12H,5-6H2
InChIKeyXPFJCVDZKKYYBC-UHFFFAOYSA-N
MW194.22 g/mol
LogP3.23
Rot. Bonds1

About 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene

1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene (PubChem CID 132609163) has the molecular formula C12H12F2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
PubChem CID132609163
Molecular FormulaC12H12F2
Molecular Weight194.22 g/mol
Exact Mass194.09
IUPAC Name1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
SMILESFC(F)C1C2CCc3ccccc3C21
InChIInChI=1S/C12H12F2/c13-12(14)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-12H,5-6H2
InChIKeyXPFJCVDZKKYYBC-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyltetraline
CID 15262
1-(Trifluoromethyl)naphthalene
CID 12363816
1-Ethyl-1,2,3,4-tetrahydro-naphthalene
CID 139497
1,2,3,9,10,10a-Hexahydrophenanthrene
CID 151976
2-Hexyl-1,2,3,4-tetrahydronaphthalene
CID 14298812
2-Methyl-1,2,3,4-tetrahydronaphthalene
CID 19755
2-Ethyltetralin
CID 36111
1,4-Dimethyl-1,2,3,4-tetrahydronaphthalene
CID 138145
1,2-Dimethyl-1,2,3,4-tetrahydronaphthalene
CID 182485
1-Propyl-1,2,3,4-tetrahydronaphthalene
CID 582936
4-(Trifluoromethyl)-1,2-dihydronaphthalene
CID 13974264
1-Cyclopropylnaphthalene
CID 14668693

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene (CID 132609163) is 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene is FC(F)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
The InChIKey is XPFJCVDZKKYYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2/c13-12(14)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-12H,5-6H2.
What are the key properties of 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene?
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene has a molecular weight of 194.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 132609163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).