1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane

C10H19F9O3S — CID 91062928

IUPAC1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane
SMILESCCC(C)OCCC(F)(F)F.FCCF.FCF.O=S(=O)(F)F
InChIInChI=1S/C7H13F3O.C2H4F2.CH2F2.F2O2S/c1-3-6(2)11-5-4-7(8,9)10;3-1-2-4;2-1-3;1-5(2,3)4/h6H,3-5H2,1-2H3;1-2H2;1H2;
InChIKeyWHLKEQFNLZEKEA-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.73
Rot. Bonds5

About 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane

1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane (PubChem CID 91062928) has the molecular formula C10H19F9O3S and a molecular weight of 390.31 g/mol. Its IUPAC name is 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane.

Molecular Properties

Compound Name1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane
PubChem CID91062928
Molecular FormulaC10H19F9O3S
Molecular Weight390.31 g/mol
Exact Mass390.09
IUPAC Name1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane
SMILESCCC(C)OCCC(F)(F)F.FCCF.FCF.O=S(=O)(F)F
InChIInChI=1S/C7H13F3O.C2H4F2.CH2F2.F2O2S/c1-3-6(2)11-5-4-7(8,9)10;3-1-2-4;2-1-3;1-5(2,3)4/h6H,3-5H2,1-2H3;1-2H2;1H2;
InChIKeyWHLKEQFNLZEKEA-UHFFFAOYSA-N
XLogP4.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane
CID 158609624
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
(3S,5S)-3-(aminomethyl)-5-(3,3,3-trifluoropropoxy)hexanoic acid
CID 53240592
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82955506
2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82958128
2,2-bis(2-butan-2-yloxyethyl)hexanedioic acid
CID 87137788
N-propan-2-yl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
CID 82958196
4-butan-2-yloxybutane-1-sulfonic acid
CID 90852132
2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87748726
1,1,1-trifluoro-5-pentan-2-yloxypentane
CID 54355138
2-(3,3,3-trifluoropropoxy)butanethioamide
CID 82954686

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane?
The IUPAC name of 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane (CID 91062928) is 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane.
What is the SMILES notation for 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane?
The canonical SMILES for 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane is CCC(C)OCCC(F)(F)F.FCCF.FCF.O=S(=O)(F)F.
What is the InChIKey of 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane?
The InChIKey is WHLKEQFNLZEKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O.C2H4F2.CH2F2.F2O2S/c1-3-6(2)11-5-4-7(8,9)10;3-1-2-4;2-1-3;1-5(2,3)4/h6H,3-5H2,1-2H3;1-2H2;1H2;.
What are the key properties of 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane?
1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane has a molecular weight of 390.31 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane is sourced from PubChem (CID 91062928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).