2-fluoropropane;isocyanic acid

C5H9FN2O2 — CID 175283113

IUPAC2-fluoropropane;isocyanic acid
SMILESCC(C)F.N=C=O.N=C=O
InChIInChI=1S/C3H7F.2CHNO/c1-3(2)4;2*2-1-3/h3H,1-2H3;2*2H
InChIKeyGXHLSFSCVPTYSF-UHFFFAOYSA-N
MW148.14 g/mol
LogP1.17
Rot. Bonds

About 2-fluoropropane;isocyanic acid

2-fluoropropane;isocyanic acid (PubChem CID 175283113) has the molecular formula C5H9FN2O2 and a molecular weight of 148.14 g/mol. Its IUPAC name is 2-fluoropropane;isocyanic acid.

Molecular Properties

Compound Name2-fluoropropane;isocyanic acid
PubChem CID175283113
Molecular FormulaC5H9FN2O2
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Name2-fluoropropane;isocyanic acid
SMILESCC(C)F.N=C=O.N=C=O
InChIInChI=1S/C3H7F.2CHNO/c1-3(2)4;2*2-1-3/h3H,1-2H3;2*2H
InChIKeyGXHLSFSCVPTYSF-UHFFFAOYSA-N
XLogP1.17
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;isocyanic acid
CID 174867552
isocyanic acid;propan-2-amine
CID 172845143
isocyanic acid;propan-2-ylsilane
CID 173368662
ethane;isocyanic acid;trihydrate
CID 174647363
benzene;fluoroform;isocyanic acid;oxophosphanium
CID 173453791
isocyanic acid;hydrate
CID 19755102
isocyanic acid;hexahydrobromide
CID 172844137
isocyanic acid;methane
CID 173240059
isocyanic acid;sulfane
CID 161242825
CID 87228309
CID 87228309
isocyanic acid;hydroiodide
CID 88505610
isocyanic acid;hydrofluoride
CID 175035145

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropane;isocyanic acid?
The IUPAC name of 2-fluoropropane;isocyanic acid (CID 175283113) is 2-fluoropropane;isocyanic acid.
What is the SMILES notation for 2-fluoropropane;isocyanic acid?
The canonical SMILES for 2-fluoropropane;isocyanic acid is CC(C)F.N=C=O.N=C=O.
What is the InChIKey of 2-fluoropropane;isocyanic acid?
The InChIKey is GXHLSFSCVPTYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F.2CHNO/c1-3(2)4;2*2-1-3/h3H,1-2H3;2*2H.
What are the key properties of 2-fluoropropane;isocyanic acid?
2-fluoropropane;isocyanic acid has a molecular weight of 148.14 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropane;isocyanic acid is sourced from PubChem (CID 175283113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).