(6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid

C9H17FN2O2 — CID 68715345

IUPAC(6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid
SMILESCN1CCC(N(C)C(=O)O)CC(F)C1
InChIInChI=1S/C9H17FN2O2/c1-11-4-3-8(5-7(10)6-11)12(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyGJMFIGNUFZRRFJ-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.03
Rot. Bonds1

About (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid

(6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid (PubChem CID 68715345) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid
PubChem CID68715345
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name(6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid
SMILESCN1CCC(N(C)C(=O)O)CC(F)C1
InChIInChI=1S/C9H17FN2O2/c1-11-4-3-8(5-7(10)6-11)12(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyGJMFIGNUFZRRFJ-UHFFFAOYSA-N
XLogP1.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid?
The IUPAC name of (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid (CID 68715345) is (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid.
What is the SMILES notation for (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid?
The canonical SMILES for (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid is CN1CCC(N(C)C(=O)O)CC(F)C1.
What is the InChIKey of (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid?
The InChIKey is GJMFIGNUFZRRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-11-4-3-8(5-7(10)6-11)12(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid?
(6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid has a molecular weight of 204.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-methylazepan-4-yl)-methylcarbamic acid is sourced from PubChem (CID 68715345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).