N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine

C14H20F3N — CID 43788016

IUPACN-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)C1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C14H20F3N/c15-14(16,17)10-4-6-11(7-5-10)18-13-8-9-2-1-3-12(9)13/h1,3,9-13,18H,2,4-8H2
InChIKeyMBCNMXQTZVGYQS-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.66
Rot. Bonds2

About N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43788016) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43788016
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)C1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C14H20F3N/c15-14(16,17)10-4-6-11(7-5-10)18-13-8-9-2-1-3-12(9)13/h1,3,9-13,18H,2,4-8H2
InChIKeyMBCNMXQTZVGYQS-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223299
N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434394
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434484
N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434610
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788014
N-[2-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788062
N-[3-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43791401
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 60856330
N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63225897
N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754436
N-[2-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-amine
CID 65700467
N-[3-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-amine
CID 65700864

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43788016) is N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)C1CCC(NC2CC3CC=CC32)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is MBCNMXQTZVGYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c15-14(16,17)10-4-6-11(7-5-10)18-13-8-9-2-1-3-12(9)13/h1,3,9-13,18H,2,4-8H2.
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 259.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43788016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).