(2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol

C9H12F2OS — CID 163521374

IUPAC(2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol
SMILESCSC1(C)C=C(F)C(CO)=C(F)C1
InChIInChI=1S/C9H12F2OS/c1-9(13-2)3-7(10)6(5-12)8(11)4-9/h3,12H,4-5H2,1-2H3
InChIKeyDLCQBEDQTZWFCH-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.58
Rot. Bonds2

About (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol

(2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol (PubChem CID 163521374) has the molecular formula C9H12F2OS and a molecular weight of 206.26 g/mol. Its IUPAC name is (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol
PubChem CID163521374
Molecular FormulaC9H12F2OS
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name(2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol
SMILESCSC1(C)C=C(F)C(CO)=C(F)C1
InChIInChI=1S/C9H12F2OS/c1-9(13-2)3-7(10)6(5-12)8(11)4-9/h3,12H,4-5H2,1-2H3
InChIKeyDLCQBEDQTZWFCH-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3,5,6-Tetrafluoro-6-methylsulfanylcyclohexa-2,4-dien-1-yl)methanol
CID 70413988
[2,6-Difluoro-4-methyl-4-(methylsulfonimidoyl)cyclohexa-1,5-dien-1-yl]methanol
CID 163795965
(3-Methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol
CID 144526898

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol (CID 163521374) is (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol is CSC1(C)C=C(F)C(CO)=C(F)C1.
What is the InChIKey of (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is DLCQBEDQTZWFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2OS/c1-9(13-2)3-7(10)6(5-12)8(11)4-9/h3,12H,4-5H2,1-2H3.
What are the key properties of (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol?
(2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 206.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 163521374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).