N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine

C11H19F2N — CID 103276980

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine
SMILESCC1=CC(C)CC(CNCC(F)F)C1
InChIInChI=1S/C11H19F2N/c1-8-3-9(2)5-10(4-8)6-14-7-11(12)13/h3,8,10-11,14H,4-7H2,1-2H3
InChIKeyWLQCISBEEAXQMK-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.83
Rot. Bonds4

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine (PubChem CID 103276980) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine
PubChem CID103276980
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine
SMILESCC1=CC(C)CC(CNCC(F)F)C1
InChIInChI=1S/C11H19F2N/c1-8-3-9(2)5-10(4-8)6-14-7-11(12)13/h3,8,10-11,14H,4-7H2,1-2H3
InChIKeyWLQCISBEEAXQMK-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine (CID 103276980) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine is CC1=CC(C)CC(CNCC(F)F)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is WLQCISBEEAXQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8-3-9(2)5-10(4-8)6-14-7-11(12)13/h3,8,10-11,14H,4-7H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 203.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 103276980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).