1-(2,2-difluoroethylsulfanyl)-2-methylpropane

C6H12F2S — CID 126994381

IUPAC1-(2,2-difluoroethylsulfanyl)-2-methylpropane
SMILESCC(C)CSCC(F)F
InChIInChI=1S/C6H12F2S/c1-5(2)3-9-4-6(7)8/h5-6H,3-4H2,1-2H3
InChIKeyBTYNTNNWSYQNKE-UHFFFAOYSA-N
MW154.22 g/mol
LogP2.64
Rot. Bonds4

About 1-(2,2-difluoroethylsulfanyl)-2-methylpropane

1-(2,2-difluoroethylsulfanyl)-2-methylpropane (PubChem CID 126994381) has the molecular formula C6H12F2S and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name1-(2,2-difluoroethylsulfanyl)-2-methylpropane
PubChem CID126994381
Molecular FormulaC6H12F2S
Molecular Weight154.22 g/mol
Exact Mass154.06
IUPAC Name1-(2,2-difluoroethylsulfanyl)-2-methylpropane
SMILESCC(C)CSCC(F)F
InChIInChI=1S/C6H12F2S/c1-5(2)3-9-4-6(7)8/h5-6H,3-4H2,1-2H3
InChIKeyBTYNTNNWSYQNKE-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluoroethylsulfanyl)-2-methylbutane
CID 131201320
2-methyl-1-(2-methylpropylsulfanyl)butane
CID 21026484
2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine
CID 43529814
1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
CID 63928593
N-[1-(2-methylpropylsulfanyl)propan-2-yl]-1-methylsulfanylpropan-2-amine
CID 115721884
1-(2-chloroethylsulfanyl)-2-methylpropane
CID 19883756
N-methyl-1-(2-methylpropylsulfanyl)butan-2-amine
CID 64610491
1-(3-bromopropylsulfanyl)-2-methylpropane
CID 43445829
1-bromo-2-(2-methylpropylsulfanylmethyl)pentane
CID 65011513
1-[1-(2-methylpropylsulfanyl)propan-2-ylamino]pentan-3-ol
CID 115729242
1-(2-ethoxyethylsulfanyl)-2-methylpropane
CID 88911934
4-(2-methylpropylsulfanyl)butane-1-thiol
CID 57461880

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylsulfanyl)-2-methylpropane?
The IUPAC name of 1-(2,2-difluoroethylsulfanyl)-2-methylpropane (CID 126994381) is 1-(2,2-difluoroethylsulfanyl)-2-methylpropane.
What is the SMILES notation for 1-(2,2-difluoroethylsulfanyl)-2-methylpropane?
The canonical SMILES for 1-(2,2-difluoroethylsulfanyl)-2-methylpropane is CC(C)CSCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethylsulfanyl)-2-methylpropane?
The InChIKey is BTYNTNNWSYQNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2S/c1-5(2)3-9-4-6(7)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethylsulfanyl)-2-methylpropane?
1-(2,2-difluoroethylsulfanyl)-2-methylpropane has a molecular weight of 154.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 126994381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).