(2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane

C3ClF8NS — CID 23235075

IUPAC(2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane
SMILESFS(F)=NC(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C3ClF8NS/c4-1(5,2(6,7)8)3(9,10)13-14(11)12
InChIKeyRWGZHAAUSZWRPD-UHFFFAOYSA-N
MW269.54 g/mol
LogP3.62
Rot. Bonds2

About (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane

(2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane (PubChem CID 23235075) has the molecular formula C3ClF8NS and a molecular weight of 269.54 g/mol. Its IUPAC name is (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane.

Molecular Properties

Compound Name(2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane
PubChem CID23235075
Molecular FormulaC3ClF8NS
Molecular Weight269.54 g/mol
Exact Mass268.93
IUPAC Name(2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane
SMILESFS(F)=NC(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C3ClF8NS/c4-1(5,2(6,7)8)3(9,10)13-14(11)12
InChIKeyRWGZHAAUSZWRPD-UHFFFAOYSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.54
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[2-[(difluoro-λ4-sulfanylidene)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]imino-difluoro-λ4-sulfane
CID 23235070
[2-[[[2-[(difluoro-λ4-sulfanylidene)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]imino-λ4-sulfanylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]imino-difluoro-λ4-sulfane
CID 23235071
2-chloro-1,1,1,2,3,3-hexafluorobutane
CID 23262588
1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
CID 154303598
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
CID 22216068
CID 22216068
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
CID 87308636
1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane
CID 174796625
2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
CID 154106532
dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 87764597
(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
CID 98047490
(2-chloro-1,1,2,3,3,3-hexafluoropropyl) 2,2,2-trifluoroacetate
CID 23236291

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane?
The IUPAC name of (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane (CID 23235075) is (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane.
What is the SMILES notation for (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane?
The canonical SMILES for (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane is FS(F)=NC(F)(F)C(F)(Cl)C(F)(F)F.
What is the InChIKey of (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane?
The InChIKey is RWGZHAAUSZWRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3ClF8NS/c4-1(5,2(6,7)8)3(9,10)13-14(11)12.
What are the key properties of (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane?
(2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane has a molecular weight of 269.54 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,1,2,3,3,3-hexafluoropropyl)imino-difluoro-λ4-sulfane is sourced from PubChem (CID 23235075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).