(3-tert-butylcyclohexyl)-difluoromethanamine

C11H21F2N — CID 143848363

IUPAC(3-tert-butylcyclohexyl)-difluoromethanamine
SMILESCC(C)(C)C1CCCC(C(N)(F)F)C1
InChIInChI=1S/C11H21F2N/c1-10(2,3)8-5-4-6-9(7-8)11(12,13)14/h8-9H,4-7,14H2,1-3H3
InChIKeyBDXIIYAJMPPKQX-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.39
Rot. Bonds1

About (3-tert-butylcyclohexyl)-difluoromethanamine

(3-tert-butylcyclohexyl)-difluoromethanamine (PubChem CID 143848363) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is (3-tert-butylcyclohexyl)-difluoromethanamine.

Molecular Properties

Compound Name(3-tert-butylcyclohexyl)-difluoromethanamine
PubChem CID143848363
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name(3-tert-butylcyclohexyl)-difluoromethanamine
SMILESCC(C)(C)C1CCCC(C(N)(F)F)C1
InChIInChI=1S/C11H21F2N/c1-10(2,3)8-5-4-6-9(7-8)11(12,13)14/h8-9H,4-7,14H2,1-3H3
InChIKeyBDXIIYAJMPPKQX-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-tert-butylcyclohexyl)-difluoromethanamine 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 (3-tert-butylcyclohexyl)-difluoromethanamine?
The IUPAC name of (3-tert-butylcyclohexyl)-difluoromethanamine (CID 143848363) is (3-tert-butylcyclohexyl)-difluoromethanamine.
What is the SMILES notation for (3-tert-butylcyclohexyl)-difluoromethanamine?
The canonical SMILES for (3-tert-butylcyclohexyl)-difluoromethanamine is CC(C)(C)C1CCCC(C(N)(F)F)C1.
What is the InChIKey of (3-tert-butylcyclohexyl)-difluoromethanamine?
The InChIKey is BDXIIYAJMPPKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-10(2,3)8-5-4-6-9(7-8)11(12,13)14/h8-9H,4-7,14H2,1-3H3.
What are the key properties of (3-tert-butylcyclohexyl)-difluoromethanamine?
(3-tert-butylcyclohexyl)-difluoromethanamine has a molecular weight of 205.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclohexyl)-difluoromethanamine is sourced from PubChem (CID 143848363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).