6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C12H14F2 — CID 90156908

IUPAC6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC1(C)CCCc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2/c1-12(2)5-3-4-8-6-10(13)11(14)7-9(8)12/h6-7H,3-5H2,1-2H3
InChIKeyPCMSOSQAKMLZDE-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.58
Rot. Bonds

About 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene

6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 90156908) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID90156908
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC1(C)CCCc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2/c1-12(2)5-3-4-8-6-10(13)11(14)7-9(8)12/h6-7H,3-5H2,1-2H3
InChIKeyPCMSOSQAKMLZDE-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 90156908) is 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene is CC1(C)CCCc2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is PCMSOSQAKMLZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-12(2)5-3-4-8-6-10(13)11(14)7-9(8)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 196.24 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 90156908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).