1-(3,3-difluoro-5-methylcyclohexyl)ethenamine

C9H15F2N — CID 139314120

IUPAC1-(3,3-difluoro-5-methylcyclohexyl)ethenamine
SMILESC=C(N)C1CC(C)CC(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-6-3-8(7(2)12)5-9(10,11)4-6/h6,8H,2-5,12H2,1H3
InChIKeyXODNAOVBCXTMAE-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.53
Rot. Bonds1

About 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine

1-(3,3-difluoro-5-methylcyclohexyl)ethenamine (PubChem CID 139314120) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine.

Molecular Properties

Compound Name1-(3,3-difluoro-5-methylcyclohexyl)ethenamine
PubChem CID139314120
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(3,3-difluoro-5-methylcyclohexyl)ethenamine
SMILESC=C(N)C1CC(C)CC(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-6-3-8(7(2)12)5-9(10,11)4-6/h6,8H,2-5,12H2,1H3
InChIKeyXODNAOVBCXTMAE-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-Difluorocyclohexyl)prop-1-en-1-amine;ethane
CID 143704763
1-Cyclohexylethenamine;trifluoro(methoxy)methane
CID 145504380
1-(4,4-Difluorocyclohexyl)ethenamine
CID 178058303
1-(4-Fluoro-4-methylcyclohexyl)ethenamine
CID 143238868
1-(4,4-Difluorocyclohexyl)prop-1-en-1-amine
CID 143704764
1-[4-(Trifluoromethyl)cyclohexyl]ethenamine
CID 147356690
3-Ethyl-5-(trifluoromethyl)cyclohexen-1-amine
CID 162577996
1-(3-Methylcyclohexyl)ethenamine
CID 154473758
1-(3,3-Dimethylcyclohexyl)ethenamine;ethane
CID 163246880
1-(3,3-Dimethylcyclohexyl)ethenamine
CID 163246881

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine?
The IUPAC name of 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine (CID 139314120) is 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine.
What is the SMILES notation for 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine?
The canonical SMILES for 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine is C=C(N)C1CC(C)CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine?
The InChIKey is XODNAOVBCXTMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6-3-8(7(2)12)5-9(10,11)4-6/h6,8H,2-5,12H2,1H3.
What are the key properties of 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine?
1-(3,3-difluoro-5-methylcyclohexyl)ethenamine has a molecular weight of 175.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-5-methylcyclohexyl)ethenamine is sourced from PubChem (CID 139314120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).