3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid

C10H19F2NO2S — CID 58692011

IUPAC3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)(F)CNC1CCCCCC1
InChIInChI=1S/C10H19F2NO2S/c11-10(12,8-16(14)15)7-13-9-5-3-1-2-4-6-9/h9,13H,1-8H2,(H,14,15)
InChIKeyUEKPUWMWPWUAQM-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.16
Rot. Bonds5

About 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid

3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid (PubChem CID 58692011) has the molecular formula C10H19F2NO2S and a molecular weight of 255.33 g/mol. Its IUPAC name is 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid
PubChem CID58692011
Molecular FormulaC10H19F2NO2S
Molecular Weight255.33 g/mol
Exact Mass255.11
IUPAC Name3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)(F)CNC1CCCCCC1
InChIInChI=1S/C10H19F2NO2S/c11-10(12,8-16(14)15)7-13-9-5-3-1-2-4-6-9/h9,13H,1-8H2,(H,14,15)
InChIKeyUEKPUWMWPWUAQM-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Cycloheptylamino)-2,2-difluoropropane-1-sulfonic acid
CID 11616013
(2S)-3-(cyclohexylamino)-2-fluoropropane-1-sulfinic acid
CID 58691842
3-(Cyclohexylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691849
3-(Cyclohexylamino)-2-fluoropropane-1-sulfinic acid
CID 58691852
3-(Cycloheptylamino)-2-fluoropropane-1-sulfonic acid
CID 58691882
(2R)-3-(cycloheptylamino)-2-fluoropropane-1-sulfonic acid
CID 58691937
3-(Cyclopentylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691967
3-(Cycloheptylamino)-2-fluoropropane-1-sulfinic acid
CID 58691986
3-(Cyclohexylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691992
(2R)-3-(cyclohexylamino)-2-fluoropropane-1-sulfinic acid
CID 58692012
(2S)-3-(cycloheptylamino)-2-fluoropropane-1-sulfonic acid
CID 58692045
3-(Cyclohexylamino)-1,1-difluoropropane-1-sulfinic acid
CID 58692046

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid?
The IUPAC name of 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid (CID 58692011) is 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid?
The canonical SMILES for 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid is O=S(O)CC(F)(F)CNC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid?
The InChIKey is UEKPUWMWPWUAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2S/c11-10(12,8-16(14)15)7-13-9-5-3-1-2-4-6-9/h9,13H,1-8H2,(H,14,15).
What are the key properties of 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid?
3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid has a molecular weight of 255.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-2,2-difluoropropane-1-sulfinic acid is sourced from PubChem (CID 58692011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).