1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine

C12H19F4N — CID 79660803

IUPAC1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCNC(C1=CCCCCC1)C(F)(F)C(F)F
InChIInChI=1S/C12H19F4N/c1-2-17-10(12(15,16)11(13)14)9-7-5-3-4-6-8-9/h7,10-11,17H,2-6,8H2,1H3
InChIKeySDOMZADHSFRKLB-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.76
Rot. Bonds5

About 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine

1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 79660803) has the molecular formula C12H19F4N and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID79660803
Molecular FormulaC12H19F4N
Molecular Weight253.28 g/mol
Exact Mass253.15
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCNC(C1=CCCCCC1)C(F)(F)C(F)F
InChIInChI=1S/C12H19F4N/c1-2-17-10(12(15,16)11(13)14)9-7-5-3-4-6-8-9/h7,10-11,17H,2-6,8H2,1H3
InChIKeySDOMZADHSFRKLB-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62680127
1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 106654576
1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 55195514
1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653614
1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654846
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653615
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106653578
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[cyclohexen-1-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63505798
N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
CID 106652433

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine (CID 79660803) is 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine is CCNC(C1=CCCCCC1)C(F)(F)C(F)F.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is SDOMZADHSFRKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4N/c1-2-17-10(12(15,16)11(13)14)9-7-5-3-4-6-8-9/h7,10-11,17H,2-6,8H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine?
1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 253.28 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 79660803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).