N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine

C9H14F3N — CID 71422452

IUPACN-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine
SMILESC=C(NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h8,13H,1-6H2
InChIKeyDKYVNNZLKNYPQS-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.98
Rot. Bonds2

About N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine

N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine (PubChem CID 71422452) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine
PubChem CID71422452
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine
SMILESC=C(NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h8,13H,1-6H2
InChIKeyDKYVNNZLKNYPQS-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine?
The IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine (CID 71422452) is N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine.
What is the SMILES notation for N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine?
The canonical SMILES for N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine is C=C(NC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine?
The InChIKey is DKYVNNZLKNYPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h8,13H,1-6H2.
What are the key properties of N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine?
N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine has a molecular weight of 193.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexanamine is sourced from PubChem (CID 71422452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).