N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine

C11H19F2N — CID 116662296

IUPACN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine
SMILESCC(C)NCC(F)(F)C1=CCCCC1
InChIInChI=1S/C11H19F2N/c1-9(2)14-8-11(12,13)10-6-4-3-5-7-10/h6,9,14H,3-5,7-8H2,1-2H3
InChIKeyGSBAQWKPACCRPY-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.12
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine

N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine (PubChem CID 116662296) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine
PubChem CID116662296
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine
SMILESCC(C)NCC(F)(F)C1=CCCCC1
InChIInChI=1S/C11H19F2N/c1-9(2)14-8-11(12,13)10-6-4-3-5-7-10/h6,9,14H,3-5,7-8H2,1-2H3
InChIKeyGSBAQWKPACCRPY-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.12
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

2-(cyclohepten-1-yl)-2,2-difluoroethanamine
CID 105436113
2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 116662398
1-(cyclohepten-1-yl)-1-fluoroethanamine
CID 105430737
2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine
CID 116662260
2-(cyclohepten-1-yl)-2-fluorobutan-1-amine
CID 106655044
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene
CID 23233433
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
N-[2-(cyclopenten-1-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 131052609
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine
CID 83108468

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine (CID 116662296) is N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine is CC(C)NCC(F)(F)C1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine?
The InChIKey is GSBAQWKPACCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-9(2)14-8-11(12,13)10-6-4-3-5-7-10/h6,9,14H,3-5,7-8H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine?
N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine has a molecular weight of 203.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine is sourced from PubChem (CID 116662296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).