(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid

C6H3F10NO3S — CID 87415618

IUPAC(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid
SMILESO=S(=O)(O)NC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F10NO3S/c7-2(8)1(17-21(18,19)20)3(9,10)5(13,14)6(15,16)4(2,11)12/h1,17H,(H,18,19,20)
InChIKeyLMJNWEZNNHFXMP-UHFFFAOYSA-N
MW359.14 g/mol
LogP1.94
Rot. Bonds2

About (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid

(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid (PubChem CID 87415618) has the molecular formula C6H3F10NO3S and a molecular weight of 359.14 g/mol. Its IUPAC name is (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid
PubChem CID87415618
Molecular FormulaC6H3F10NO3S
Molecular Weight359.14 g/mol
Exact Mass358.97
IUPAC Name(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid
SMILESO=S(=O)(O)NC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F10NO3S/c7-2(8)1(17-21(18,19)20)3(9,10)5(13,14)6(15,16)4(2,11)12/h1,17H,(H,18,19,20)
InChIKeyLMJNWEZNNHFXMP-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(4,4-Difluorocyclohexyl)sulfamic acid
CID 158860873
(2,2-Difluorocyclohexyl)sulfamic acid
CID 162505234
(3,3-Difluorocyclohexyl)sulfamic acid
CID 162505237

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid?
The IUPAC name of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid (CID 87415618) is (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid.
What is the SMILES notation for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid?
The canonical SMILES for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid is O=S(=O)(O)NC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid?
The InChIKey is LMJNWEZNNHFXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10NO3S/c7-2(8)1(17-21(18,19)20)3(9,10)5(13,14)6(15,16)4(2,11)12/h1,17H,(H,18,19,20).
What are the key properties of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid?
(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid has a molecular weight of 359.14 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)sulfamic acid is sourced from PubChem (CID 87415618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).