6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene

C14H18F2 — CID 116841362

IUPAC6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C(F)(F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H18F2/c1-10(2)14(15,16)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3
InChIKeyMVNAVECCNKGYNK-UHFFFAOYSA-N
MW224.29 g/mol
LogP4.31
Rot. Bonds2

About 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene

6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 116841362) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID116841362
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C(F)(F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H18F2/c1-10(2)14(15,16)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3
InChIKeyMVNAVECCNKGYNK-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971
1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63411446
1-(3,5-dimethylcyclohexyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 64730675
1-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 63406681
butan-2-yl-difluoro-(5,6,7,8-tetrahydronaphthalen-2-yl)silane
CID 71427049
2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116914316
tert-butyl-difluoro-(5,6,7,8-tetrahydronaphthalen-2-yl)silane
CID 71378698
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene (CID 116841362) is 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene is CC(C)C(F)(F)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MVNAVECCNKGYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2/c1-10(2)14(15,16)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene?
6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 224.29 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 116841362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).