7-fluorooctan-4-yl N,N-dimethylcarbamate

C11H22FNO2 — CID 91584407

IUPAC7-fluorooctan-4-yl N,N-dimethylcarbamate
SMILESCCCC(CCC(C)F)OC(=O)N(C)C
InChIInChI=1S/C11H22FNO2/c1-5-6-10(8-7-9(2)12)15-11(14)13(3)4/h9-10H,5-8H2,1-4H3
InChIKeyQSBLBOISOVVHEY-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.99
Rot. Bonds6

About 7-fluorooctan-4-yl N,N-dimethylcarbamate

7-fluorooctan-4-yl N,N-dimethylcarbamate (PubChem CID 91584407) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is 7-fluorooctan-4-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name7-fluorooctan-4-yl N,N-dimethylcarbamate
PubChem CID91584407
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name7-fluorooctan-4-yl N,N-dimethylcarbamate
SMILESCCCC(CCC(C)F)OC(=O)N(C)C
InChIInChI=1S/C11H22FNO2/c1-5-6-10(8-7-9(2)12)15-11(14)13(3)4/h9-10H,5-8H2,1-4H3
InChIKeyQSBLBOISOVVHEY-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-fluorooctan-4-yl N,N-dimethylcarbamate 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

2-oxohexan-3-yl N,N-dimethylcarbamate
CID 135010538
(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate
CID 137457799
(313C)heptan-4-yl acetate
CID 117065532
ethane;ethyl heptan-4-yl carbonate
CID 143752690
2-fluoro-N,N-dimethylpentanamide
CID 135391133
4,10-dimethyltridecan-7-yl acetate
CID 87224928
[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate
CID 118272073
hexan-3-yl carbonofluoridate
CID 175528243
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
1-bromopentan-2-yl acetate
CID 14264119
bis(1-chlorohexan-3-yl) carbonate
CID 88995884
2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;heptan-4-yl 2,2-dimethylbutanoate
CID 90733921

Frequently Asked Questions

What is the IUPAC name of 7-fluorooctan-4-yl N,N-dimethylcarbamate?
The IUPAC name of 7-fluorooctan-4-yl N,N-dimethylcarbamate (CID 91584407) is 7-fluorooctan-4-yl N,N-dimethylcarbamate.
What is the SMILES notation for 7-fluorooctan-4-yl N,N-dimethylcarbamate?
The canonical SMILES for 7-fluorooctan-4-yl N,N-dimethylcarbamate is CCCC(CCC(C)F)OC(=O)N(C)C.
What is the InChIKey of 7-fluorooctan-4-yl N,N-dimethylcarbamate?
The InChIKey is QSBLBOISOVVHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-5-6-10(8-7-9(2)12)15-11(14)13(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 7-fluorooctan-4-yl N,N-dimethylcarbamate?
7-fluorooctan-4-yl N,N-dimethylcarbamate has a molecular weight of 219.30 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorooctan-4-yl N,N-dimethylcarbamate is sourced from PubChem (CID 91584407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).