2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid

C7H10F5NO2 — CID 150368748

IUPAC2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid
SMILESCCCN(CC(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F5NO2/c1-2-3-13(5(14)15)4-6(8,9)7(10,11)12/h2-4H2,1H3,(H,14,15)
InChIKeyGXGSUGXAJBCHBD-UHFFFAOYSA-N
MW235.15 g/mol
LogP2.57
Rot. Bonds4

About 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid

2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid (PubChem CID 150368748) has the molecular formula C7H10F5NO2 and a molecular weight of 235.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid
PubChem CID150368748
Molecular FormulaC7H10F5NO2
Molecular Weight235.15 g/mol
Exact Mass235.06
IUPAC Name2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid
SMILESCCCN(CC(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F5NO2/c1-2-3-13(5(14)15)4-6(8,9)7(10,11)12/h2-4H2,1H3,(H,14,15)
InChIKeyGXGSUGXAJBCHBD-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid (CID 150368748) is 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid is CCCN(CC(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid?
The InChIKey is GXGSUGXAJBCHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO2/c1-2-3-13(5(14)15)4-6(8,9)7(10,11)12/h2-4H2,1H3,(H,14,15).
What are the key properties of 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid?
2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid has a molecular weight of 235.15 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl(propyl)carbamic acid is sourced from PubChem (CID 150368748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).