2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine

C10H16F3N — CID 172623807

IUPAC2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine
SMILESC=C1CCCC(C(N)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-7-3-2-4-8(6-5-7)9(14)10(11,12)13/h8-9H,1-6,14H2
InChIKeyQUTNTOLGEMDXAF-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.01
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine

2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine (PubChem CID 172623807) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine
PubChem CID172623807
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine
SMILESC=C1CCCC(C(N)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-7-3-2-4-8(6-5-7)9(14)10(11,12)13/h8-9H,1-6,14H2
InChIKeyQUTNTOLGEMDXAF-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine (CID 172623807) is 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine is C=C1CCCC(C(N)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine?
The InChIKey is QUTNTOLGEMDXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7-3-2-4-8(6-5-7)9(14)10(11,12)13/h8-9H,1-6,14H2.
What are the key properties of 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine?
2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine has a molecular weight of 207.24 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylidenecycloheptyl)ethanamine is sourced from PubChem (CID 172623807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).