N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine

C9H13F2N — CID 115406101

IUPACN-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)CNC1CC2CC=CC21
InChIInChI=1S/C9H13F2N/c10-9(11)5-12-8-4-6-2-1-3-7(6)8/h1,3,6-9,12H,2,4-5H2
InChIKeyWDYUXBXOLMQICM-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.81
Rot. Bonds3

About N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 115406101) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID115406101
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC NameN-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)CNC1CC2CC=CC21
InChIInChI=1S/C9H13F2N/c10-9(11)5-12-8-4-6-2-1-3-7(6)8/h1,3,6-9,12H,2,4-5H2
InChIKeyWDYUXBXOLMQICM-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.81
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-[[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-cyclopent-3-en-1-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844774
N-(4,4,4-trifluorobutan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 105932187
N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 106210392
N-(2,2,3,3-tetrafluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 106289652
N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 106427067
N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115516604

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 115406101) is N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine is FC(F)CNC1CC2CC=CC21.
What is the InChIKey of N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is WDYUXBXOLMQICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N/c10-9(11)5-12-8-4-6-2-1-3-7(6)8/h1,3,6-9,12H,2,4-5H2.
What are the key properties of N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 173.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 115406101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).