4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid

C10H19F5N2O3 — CID 86076066

IUPAC4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid
SMILESNCCCC(N)CCCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H18N2O.C3HF5O2/c8-5-1-3-7(9)4-2-6-10;4-2(5,1(9)10)3(6,7)8/h7,10H,1-6,8-9H2;(H,9,10)
InChIKeyNMDCPRFNTASKKZ-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.09
Rot. Bonds7

About 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid

4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 86076066) has the molecular formula C10H19F5N2O3 and a molecular weight of 310.26 g/mol. Its IUPAC name is 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID86076066
Molecular FormulaC10H19F5N2O3
Molecular Weight310.26 g/mol
Exact Mass310.13
IUPAC Name4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid
SMILESNCCCC(N)CCCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H18N2O.C3HF5O2/c8-5-1-3-7(9)4-2-6-10;4-2(5,1(9)10)3(6,7)8/h7,10H,1-6,8-9H2;(H,9,10)
InChIKeyNMDCPRFNTASKKZ-UHFFFAOYSA-N
XLogP1.09
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid (CID 86076066) is 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid is NCCCC(N)CCCO.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is NMDCPRFNTASKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.C3HF5O2/c8-5-1-3-7(9)4-2-6-10;4-2(5,1(9)10)3(6,7)8/h7,10H,1-6,8-9H2;(H,9,10).
What are the key properties of 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid?
4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 310.26 g/mol, XLogP of 1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diaminoheptan-1-ol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 86076066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).