but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine

C12H22F3N — CID 142537452

IUPACbut-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine
SMILESCC=CC.NC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N.C4H8/c9-8(10,11)7(12)6-4-2-1-3-5-6;1-3-4-2/h6-7H,1-5,12H2;3-4H,1-2H3
InChIKeyVWMUBGPEAYQRBG-UHFFFAOYSA-N
MW237.31 g/mol
LogP4.04
Rot. Bonds1

About but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine

but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine (PubChem CID 142537452) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Namebut-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine
PubChem CID142537452
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Namebut-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine
SMILESCC=CC.NC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N.C4H8/c9-8(10,11)7(12)6-4-2-1-3-5-6;1-3-4-2/h6-7H,1-5,12H2;3-4H,1-2H3
InChIKeyVWMUBGPEAYQRBG-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 54.04
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 but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine?
The IUPAC name of but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine (CID 142537452) is but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine?
The canonical SMILES for but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine is CC=CC.NC(C1CCCCC1)C(F)(F)F.
What is the InChIKey of but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine?
The InChIKey is VWMUBGPEAYQRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.C4H8/c9-8(10,11)7(12)6-4-2-1-3-5-6;1-3-4-2/h6-7H,1-5,12H2;3-4H,1-2H3.
What are the key properties of but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine?
but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine has a molecular weight of 237.31 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 142537452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).