[1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid

C11H21FN2O2 — CID 68713570

IUPAC[1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid
SMILESCNCC(CC1(F)CCCCC1)NC(=O)O
InChIInChI=1S/C11H21FN2O2/c1-13-8-9(14-10(15)16)7-11(12)5-3-2-4-6-11/h9,13-14H,2-8H2,1H3,(H,15,16)
InChIKeyHNPDATUJWQPUCC-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.90
Rot. Bonds5

About [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid

[1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid (PubChem CID 68713570) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid
PubChem CID68713570
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name[1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid
SMILESCNCC(CC1(F)CCCCC1)NC(=O)O
InChIInChI=1S/C11H21FN2O2/c1-13-8-9(14-10(15)16)7-11(12)5-3-2-4-6-11/h9,13-14H,2-8H2,1H3,(H,15,16)
InChIKeyHNPDATUJWQPUCC-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid?
The IUPAC name of [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid (CID 68713570) is [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid?
The canonical SMILES for [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid is CNCC(CC1(F)CCCCC1)NC(=O)O.
What is the InChIKey of [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid?
The InChIKey is HNPDATUJWQPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-13-8-9(14-10(15)16)7-11(12)5-3-2-4-6-11/h9,13-14H,2-8H2,1H3,(H,15,16).
What are the key properties of [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid?
[1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid has a molecular weight of 232.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 68713570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).