2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

C21H30F8N2O4 — CID 88898555

IUPAC2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESO=C(NC1CCC(CC2CCC(NC(=O)OCC(F)(F)C(F)F)CC2)CC1)OCC(F)(F)C(F)F
InChIInChI=1S/C21H30F8N2O4/c22-16(23)20(26,27)10-34-18(32)30-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)31-19(33)35-11-21(28,29)17(24)25/h12-17H,1-11H2,(H,30,32)(H,31,33)
InChIKeyGGKJNDIVRBJJDP-UHFFFAOYSA-N
MW526.47 g/mol
LogP5.75
Rot. Bonds10

About 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (PubChem CID 88898555) has the molecular formula C21H30F8N2O4 and a molecular weight of 526.47 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
PubChem CID88898555
Molecular FormulaC21H30F8N2O4
Molecular Weight526.47 g/mol
Exact Mass526.21
IUPAC Name2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESO=C(NC1CCC(CC2CCC(NC(=O)OCC(F)(F)C(F)F)CC2)CC1)OCC(F)(F)C(F)F
InChIInChI=1S/C21H30F8N2O4/c22-16(23)20(26,27)10-34-18(32)30-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)31-19(33)35-11-21(28,29)17(24)25/h12-17H,1-11H2,(H,30,32)(H,31,33)
InChIKeyGGKJNDIVRBJJDP-UHFFFAOYSA-N
XLogP5.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.47
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate 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 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (CID 88898555) is 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is O=C(NC1CCC(CC2CCC(NC(=O)OCC(F)(F)C(F)F)CC2)CC1)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The InChIKey is GGKJNDIVRBJJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F8N2O4/c22-16(23)20(26,27)10-34-18(32)30-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)31-19(33)35-11-21(28,29)17(24)25/h12-17H,1-11H2,(H,30,32)(H,31,33).
What are the key properties of 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate has a molecular weight of 526.47 g/mol, XLogP of 5.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 88898555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).