3-fluoropropyl N-tert-butylcarbamate

C8H16FNO2 — CID 174967171

IUPAC3-fluoropropyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCF
InChIInChI=1S/C8H16FNO2/c1-8(2,3)10-7(11)12-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyMIPMQRXHCGBPGJ-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.87
Rot. Bonds3

About 3-fluoropropyl N-tert-butylcarbamate

3-fluoropropyl N-tert-butylcarbamate (PubChem CID 174967171) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-fluoropropyl N-tert-butylcarbamate.

Molecular Properties

Compound Name3-fluoropropyl N-tert-butylcarbamate
PubChem CID174967171
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name3-fluoropropyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCF
InChIInChI=1S/C8H16FNO2/c1-8(2,3)10-7(11)12-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyMIPMQRXHCGBPGJ-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl N-tert-butylcarbamate?
The IUPAC name of 3-fluoropropyl N-tert-butylcarbamate (CID 174967171) is 3-fluoropropyl N-tert-butylcarbamate.
What is the SMILES notation for 3-fluoropropyl N-tert-butylcarbamate?
The canonical SMILES for 3-fluoropropyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCCF.
What is the InChIKey of 3-fluoropropyl N-tert-butylcarbamate?
The InChIKey is MIPMQRXHCGBPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-8(2,3)10-7(11)12-6-4-5-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-fluoropropyl N-tert-butylcarbamate?
3-fluoropropyl N-tert-butylcarbamate has a molecular weight of 177.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl N-tert-butylcarbamate is sourced from PubChem (CID 174967171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).