N-(3-fluoropropyl)-N-methylformamide

C5H10FNO — CID 123161339

IUPACN-(3-fluoropropyl)-N-methylformamide
SMILESCN(C=O)CCCF
InChIInChI=1S/C5H10FNO/c1-7(5-8)4-2-3-6/h5H,2-4H2,1H3
InChIKeyBPABWEFHRZOBIH-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.43
Rot. Bonds4

About N-(3-fluoropropyl)-N-methylformamide

N-(3-fluoropropyl)-N-methylformamide (PubChem CID 123161339) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N-methylformamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N-methylformamide
PubChem CID123161339
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC NameN-(3-fluoropropyl)-N-methylformamide
SMILESCN(C=O)CCCF
InChIInChI=1S/C5H10FNO/c1-7(5-8)4-2-3-6/h5H,2-4H2,1H3
InChIKeyBPABWEFHRZOBIH-UHFFFAOYSA-N
XLogP0.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N-methylformamide?
The IUPAC name of N-(3-fluoropropyl)-N-methylformamide (CID 123161339) is N-(3-fluoropropyl)-N-methylformamide.
What is the SMILES notation for N-(3-fluoropropyl)-N-methylformamide?
The canonical SMILES for N-(3-fluoropropyl)-N-methylformamide is CN(C=O)CCCF.
What is the InChIKey of N-(3-fluoropropyl)-N-methylformamide?
The InChIKey is BPABWEFHRZOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-7(5-8)4-2-3-6/h5H,2-4H2,1H3.
What are the key properties of N-(3-fluoropropyl)-N-methylformamide?
N-(3-fluoropropyl)-N-methylformamide has a molecular weight of 119.14 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N-methylformamide is sourced from PubChem (CID 123161339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).