1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene

C10H14F2S — CID 173055962

IUPAC1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1C(C(F)F)=CC=CC1(C)C
InChIInChI=1S/C10H14F2S/c1-10(2)6-4-5-7(9(11)12)8(10)13-3/h4-6,8-9H,1-3H3
InChIKeyRQWZPSZAZOOHIS-UHFFFAOYSA-N
MW204.28 g/mol
LogP3.51
Rot. Bonds2

About 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene

1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene (PubChem CID 173055962) has the molecular formula C10H14F2S and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene
PubChem CID173055962
Molecular FormulaC10H14F2S
Molecular Weight204.28 g/mol
Exact Mass204.08
IUPAC Name1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1C(C(F)F)=CC=CC1(C)C
InChIInChI=1S/C10H14F2S/c1-10(2)6-4-5-7(9(11)12)8(10)13-3/h4-6,8-9H,1-3H3
InChIKeyRQWZPSZAZOOHIS-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
3,5-dimethyl-2-[4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-4H-thiopyran
CID 123796387
1-(Difluoromethylsulfanyl)-4-methylcyclohexa-1,3-diene
CID 141992966
(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene
CID 144530557
6-Methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 147622584
2-(Ethylsulfanylmethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 156896275
1-Methyl-4-methylsulfanyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 166786201
(3E,5E)-7,7,7-trifluoro-6-methyl-3-(1-methylsulfanylethyl)hepta-1,3,5-triene
CID 166845422
5-Methyl-6-methylsulfanyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 173055802
1-(Difluoromethyl)-5-methyl-2-methylsulfanylcyclohexa-1,3-diene
CID 173055845

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene (CID 173055962) is 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene is CSC1C(C(F)F)=CC=CC1(C)C.
What is the InChIKey of 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is RQWZPSZAZOOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2S/c1-10(2)6-4-5-7(9(11)12)8(10)13-3/h4-6,8-9H,1-3H3.
What are the key properties of 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene?
1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 204.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5,5-dimethyl-6-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 173055962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).