CID 71299621

C9H2F17NO2 — CID 71299621

IUPAC—
SMILESO=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH2+]
InChIInChI=1S/C9HF17O2.H2N/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;/h(H,27,28);1H2/q;+1/p-1
InChIKeyGHXSPDZEHBQXNY-UHFFFAOYSA-M
MW479.09 g/mol
LogP2.22
Rot. Bonds7

About CID 71299621

CID 71299621 (PubChem CID 71299621) has the molecular formula C9H2F17NO2 and a molecular weight of 479.09 g/mol.

Molecular Properties

Compound NameCID 71299621
PubChem CID71299621
Molecular FormulaC9H2F17NO2
Molecular Weight479.09 g/mol
Exact Mass478.98
IUPAC Name—
SMILESO=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH2+]
InChIInChI=1S/C9HF17O2.H2N/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;/h(H,27,28);1H2/q;+1/p-1
InChIKeyGHXSPDZEHBQXNY-UHFFFAOYSA-M
XLogP2.22
TPSA73.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.09
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
CID 4253803
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate);piperazine-1,4-diium
CID 165339393
copper 2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 175584674
dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 71669306
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate;triphenylsulfanium
CID 22345006
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,25-pentacontafluoropentacosan-13-one
CID 158650223
bis(2,2,3,3,4,4,5,5,5-nonafluoropentanoate);bis(triphenylsulfanium)
CID 175756801
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate;tetrabutylazanium;hydrobromide
CID 173271267
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
ethylazanium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosafluoro-10-(trifluoromethyl)undecanoate
CID 165363434

Frequently Asked Questions

What is the IUPAC name of CID 71299621?
The IUPAC name of CID 71299621 (CID 71299621) is not available.
What is the SMILES notation for CID 71299621?
The canonical SMILES for CID 71299621 is O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH2+].
What is the InChIKey of CID 71299621?
The InChIKey is GHXSPDZEHBQXNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9HF17O2.H2N/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;/h(H,27,28);1H2/q;+1/p-1.
What are the key properties of CID 71299621?
CID 71299621 has a molecular weight of 479.09 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71299621 is sourced from PubChem (CID 71299621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).