cyclohexyl(fluoromethyl)carbamic acid

C8H14FNO2 — CID 23328845

IUPACcyclohexyl(fluoromethyl)carbamic acid
SMILESO=C(O)N(CF)C1CCCCC1
InChIInChI=1S/C8H14FNO2/c9-6-10(8(11)12)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)
InChIKeyLOLRPIGQRPJGSV-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.23
Rot. Bonds2

About cyclohexyl(fluoromethyl)carbamic acid

cyclohexyl(fluoromethyl)carbamic acid (PubChem CID 23328845) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is cyclohexyl(fluoromethyl)carbamic acid.

Molecular Properties

Compound Namecyclohexyl(fluoromethyl)carbamic acid
PubChem CID23328845
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Namecyclohexyl(fluoromethyl)carbamic acid
SMILESO=C(O)N(CF)C1CCCCC1
InChIInChI=1S/C8H14FNO2/c9-6-10(8(11)12)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)
InChIKeyLOLRPIGQRPJGSV-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze cyclohexyl(fluoromethyl)carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(fluoromethyl)carbamic acid?
The IUPAC name of cyclohexyl(fluoromethyl)carbamic acid (CID 23328845) is cyclohexyl(fluoromethyl)carbamic acid.
What is the SMILES notation for cyclohexyl(fluoromethyl)carbamic acid?
The canonical SMILES for cyclohexyl(fluoromethyl)carbamic acid is O=C(O)N(CF)C1CCCCC1.
What is the InChIKey of cyclohexyl(fluoromethyl)carbamic acid?
The InChIKey is LOLRPIGQRPJGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-6-10(8(11)12)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12).
What are the key properties of cyclohexyl(fluoromethyl)carbamic acid?
cyclohexyl(fluoromethyl)carbamic acid has a molecular weight of 175.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(fluoromethyl)carbamic acid is sourced from PubChem (CID 23328845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).