1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C11F23N — CID 14225133

IUPAC1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F23N/c12-1(7(22,23)24)2(13,14)4(17,18)6(21,5(19,20)3(1,15)16)35(10(31,32)8(25,26)27)11(33,34)9(28,29)30
InChIKeyLUJRRCQQOGJWOF-UHFFFAOYSA-N
MW583.08 g/mol
LogP7.09
Rot. Bonds3

About 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine

1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 14225133) has the molecular formula C11F23N and a molecular weight of 583.08 g/mol. Its IUPAC name is 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID14225133
Molecular FormulaC11F23N
Molecular Weight583.08 g/mol
Exact Mass582.97
IUPAC Name1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F23N/c12-1(7(22,23)24)2(13,14)4(17,18)6(21,5(19,20)3(1,15)16)35(10(31,32)8(25,26)27)11(33,34)9(28,29)30
InChIKeyLUJRRCQQOGJWOF-UHFFFAOYSA-N
XLogP7.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.08
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine 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

1-(1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 121962
Perfluoromethylpropyl-(4-methylcyclohexyl)amine
CID 10231983
Perfluoro-n-(4-methylcyclohexyl)-2-methylpyrrolidine
CID 88080549
1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine
CID 10232280
1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine
CID 11648711
1-[1,2,2,3,3,4,4,5,5,6-Decafluoro-6-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
CID 13251103
1-[1,2,2,3,3,4,4,5,6,6-Decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
CID 13251104
1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
CID 13251105
Perfluoromethylbutyl-(4-methylcyclohexyl)-amine
CID 87984083
Perfluoro-N-(4-methylcyclohexyl)-1-methylpiperidinium
CID 88081075
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-[2,2,3,3,4,5,5,6,6-nonafluoro-1,4-bis(trifluoromethyl)cyclohexyl]piperidine
CID 141517476
1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)piperidine
CID 142661385

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 14225133) is 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LUJRRCQQOGJWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F23N/c12-1(7(22,23)24)2(13,14)4(17,18)6(21,5(19,20)3(1,15)16)35(10(31,32)8(25,26)27)11(33,34)9(28,29)30.
What are the key properties of 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 583.08 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,5,5,6,6-decafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 14225133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).