tert-butyl N-(3-fluoropropyl)carbamate

C8H16FNO2 — CID 45092379

IUPACtert-butyl N-(3-fluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCF
InChIInChI=1S/C8H16FNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyPWCMDZUAQPMAHW-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl N-(3-fluoropropyl)carbamate

tert-butyl N-(3-fluoropropyl)carbamate (PubChem CID 45092379) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is tert-butyl N-(3-fluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoropropyl)carbamate
PubChem CID45092379
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Nametert-butyl N-(3-fluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCF
InChIInChI=1S/C8H16FNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyPWCMDZUAQPMAHW-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'}

Analyze tert-butyl N-(3-fluoropropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-aminobutyl)carbamate
CID 4351
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
Tert-butyl N-ethylcarbamate
CID 11198486
N-BOC-1,6-diaminohexane
CID 2733170
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
Tert-butyl N-butylcarbamate
CID 4271883
tert-butyl N-(3-bromopropyl)carbamate
CID 4460490
tert-butyl N-(3-iodopropyl)carbamate
CID 11231463
tert-butyl N-(2-cyano-2-methylethyl)carbamate
CID 45092391
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
N-(tert-Butoxycarbonyl)-N'-methylethylenediamine
CID 3435744
tert-butyl N-(3-oxobutyl)carbamate
CID 12111481

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoropropyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoropropyl)carbamate (CID 45092379) is tert-butyl N-(3-fluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoropropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoropropyl)carbamate is CC(C)(C)OC(=O)NCCCF.
What is the InChIKey of tert-butyl N-(3-fluoropropyl)carbamate?
The InChIKey is PWCMDZUAQPMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of tert-butyl N-(3-fluoropropyl)carbamate?
tert-butyl N-(3-fluoropropyl)carbamate 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 tert-butyl N-(3-fluoropropyl)carbamate is sourced from PubChem (CID 45092379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).