3-fluoro-4-nitrosoheptane

C7H14FNO — CID 122500607

IUPAC3-fluoro-4-nitrosoheptane
SMILESCCCC(N=O)C(F)CC
InChIInChI=1S/C7H14FNO/c1-3-5-7(9-10)6(8)4-2/h6-7H,3-5H2,1-2H3
InChIKeyGCTKNJQRWLPWHQ-UHFFFAOYSA-N
MW147.19 g/mol
LogP2.67
Rot. Bonds5

About 3-fluoro-4-nitrosoheptane

3-fluoro-4-nitrosoheptane (PubChem CID 122500607) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-fluoro-4-nitrosoheptane.

Molecular Properties

Compound Name3-fluoro-4-nitrosoheptane
PubChem CID122500607
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-fluoro-4-nitrosoheptane
SMILESCCCC(N=O)C(F)CC
InChIInChI=1S/C7H14FNO/c1-3-5-7(9-10)6(8)4-2/h6-7H,3-5H2,1-2H3
InChIKeyGCTKNJQRWLPWHQ-UHFFFAOYSA-N
XLogP2.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nitrosoheptane?
The IUPAC name of 3-fluoro-4-nitrosoheptane (CID 122500607) is 3-fluoro-4-nitrosoheptane.
What is the SMILES notation for 3-fluoro-4-nitrosoheptane?
The canonical SMILES for 3-fluoro-4-nitrosoheptane is CCCC(N=O)C(F)CC.
What is the InChIKey of 3-fluoro-4-nitrosoheptane?
The InChIKey is GCTKNJQRWLPWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-3-5-7(9-10)6(8)4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-4-nitrosoheptane?
3-fluoro-4-nitrosoheptane has a molecular weight of 147.19 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nitrosoheptane is sourced from PubChem (CID 122500607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).