(4-amino-2-fluorocyclohexyl) carbamate

C7H13FN2O2 — CID 175166569

IUPAC(4-amino-2-fluorocyclohexyl) carbamate
SMILESNC(=O)OC1CCC(N)CC1F
InChIInChI=1S/C7H13FN2O2/c8-5-3-4(9)1-2-6(5)12-7(10)11/h4-6H,1-3,9H2,(H2,10,11)
InChIKeyNUHVGPZPNKWWRJ-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.30
Rot. Bonds1

About (4-amino-2-fluorocyclohexyl) carbamate

(4-amino-2-fluorocyclohexyl) carbamate (PubChem CID 175166569) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is (4-amino-2-fluorocyclohexyl) carbamate.

Molecular Properties

Compound Name(4-amino-2-fluorocyclohexyl) carbamate
PubChem CID175166569
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name(4-amino-2-fluorocyclohexyl) carbamate
SMILESNC(=O)OC1CCC(N)CC1F
InChIInChI=1S/C7H13FN2O2/c8-5-3-4(9)1-2-6(5)12-7(10)11/h4-6H,1-3,9H2,(H2,10,11)
InChIKeyNUHVGPZPNKWWRJ-UHFFFAOYSA-N
XLogP0.30
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-fluorocyclohexyl) carbamate?
The IUPAC name of (4-amino-2-fluorocyclohexyl) carbamate (CID 175166569) is (4-amino-2-fluorocyclohexyl) carbamate.
What is the SMILES notation for (4-amino-2-fluorocyclohexyl) carbamate?
The canonical SMILES for (4-amino-2-fluorocyclohexyl) carbamate is NC(=O)OC1CCC(N)CC1F.
What is the InChIKey of (4-amino-2-fluorocyclohexyl) carbamate?
The InChIKey is NUHVGPZPNKWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c8-5-3-4(9)1-2-6(5)12-7(10)11/h4-6H,1-3,9H2,(H2,10,11).
What are the key properties of (4-amino-2-fluorocyclohexyl) carbamate?
(4-amino-2-fluorocyclohexyl) carbamate has a molecular weight of 176.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-fluorocyclohexyl) carbamate is sourced from PubChem (CID 175166569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).