cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride

C8H15F2NO2 — CID 70581297

IUPACcyclohexyl(fluoromethyl)carbamic acid;hydrofluoride
SMILESF.O=C(O)N(CF)C1CCCCC1
InChIInChI=1S/C8H14FNO2.FH/c9-6-10(8(11)12)7-4-2-1-3-5-7;/h7H,1-6H2,(H,11,12);1H
InChIKeyGGRGUHZTTVCWDZ-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.38
Rot. Bonds2

About cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride

cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride (PubChem CID 70581297) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride.

Molecular Properties

Compound Namecyclohexyl(fluoromethyl)carbamic acid;hydrofluoride
PubChem CID70581297
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Namecyclohexyl(fluoromethyl)carbamic acid;hydrofluoride
SMILESF.O=C(O)N(CF)C1CCCCC1
InChIInChI=1S/C8H14FNO2.FH/c9-6-10(8(11)12)7-4-2-1-3-5-7;/h7H,1-6H2,(H,11,12);1H
InChIKeyGGRGUHZTTVCWDZ-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.38
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;hydrofluoride 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

(4,4-Difluorocyclohexyl)-methylcarbamic acid
CID 23147937
N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride
CID 54038097
(2-Bromo-2,2-difluoroethyl)-cyclohexylcarbamic acid
CID 68773774
Tert-butyl-(4,4-difluorocyclohexyl)carbamic acid
CID 69068112
(4,4-Difluorocyclohexyl)-(hydroxymethyl)carbamic acid
CID 70819108
Propan-2-yl(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)carbamic acid
CID 89778836
Cyclohexyl(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamic acid
CID 89778839
1,1,1,3,3,3-Hexafluoropropan-2-yl(hexyl)carbamic acid
CID 89778965
Cyclohexyl(2,2,2-trifluoroethyl)carbamic acid
CID 89778973
Cyclohexyl(2,2,3,3,4,4,5,5,5-nonafluoropentyl)carbamic acid
CID 89778977
Cyclohexyl(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)carbamic acid
CID 89778989
Cyclohexyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl)carbamic acid
CID 89779072

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride?
The IUPAC name of cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride (CID 70581297) is cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride.
What is the SMILES notation for cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride?
The canonical SMILES for cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride is F.O=C(O)N(CF)C1CCCCC1.
What is the InChIKey of cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride?
The InChIKey is GGRGUHZTTVCWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2.FH/c9-6-10(8(11)12)7-4-2-1-3-5-7;/h7H,1-6H2,(H,11,12);1H.
What are the key properties of cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride?
cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride has a molecular weight of 195.21 g/mol, XLogP of 2.38, 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;hydrofluoride is sourced from PubChem (CID 70581297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).