N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine

C11H14F3N — CID 106210392

IUPACN-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)C1(NC2CC3CC=CC32)CC1
InChIInChI=1S/C11H14F3N/c12-11(13,14)10(4-5-10)15-9-6-7-2-1-3-8(7)9/h1,3,7-9,15H,2,4-6H2
InChIKeyPYCIGPGLDIASGK-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.64
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 106210392) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID106210392
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)C1(NC2CC3CC=CC32)CC1
InChIInChI=1S/C11H14F3N/c12-11(13,14)10(4-5-10)15-9-6-7-2-1-3-8(7)9/h1,3,7-9,15H,2,4-6H2
InChIKeyPYCIGPGLDIASGK-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.64
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-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788016
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-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63225897
N-(4,4,4-trifluorobutan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 105932187
N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210364
4-[[[1-(Trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine
CID 106219137
N-(2,2,3,3-tetrafluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 106289652
N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115406101
N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115516604
N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115517551

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 106210392) is N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)C1(NC2CC3CC=CC32)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is PYCIGPGLDIASGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c12-11(13,14)10(4-5-10)15-9-6-7-2-1-3-8(7)9/h1,3,7-9,15H,2,4-6H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 217.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 106210392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).