N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

C15H25F4NO — CID 106654849

IUPACN-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C1=CCCCCC1
InChIInChI=1S/C15H25F4NO/c1-2-9-20-13(12-7-5-3-4-6-8-12)10-21-11-15(18,19)14(16)17/h7,13-14,20H,2-6,8-11H2,1H3
InChIKeyLSALTVOKNGDXEF-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.16
Rot. Bonds9

About N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (PubChem CID 106654849) has the molecular formula C15H25F4NO and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
PubChem CID106654849
Molecular FormulaC15H25F4NO
Molecular Weight311.36 g/mol
Exact Mass311.19
IUPAC NameN-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C1=CCCCCC1
InChIInChI=1S/C15H25F4NO/c1-2-9-20-13(12-7-5-3-4-6-8-12)10-21-11-15(18,19)14(16)17/h7,13-14,20H,2-6,8-11H2,1H3
InChIKeyLSALTVOKNGDXEF-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207502
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507
1-(cyclopenten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207511
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
1-(cyclopenten-1-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207513
1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207514

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (CID 106654849) is N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)C(F)F)C1=CCCCCC1.
What is the InChIKey of N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The InChIKey is LSALTVOKNGDXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F4NO/c1-2-9-20-13(12-7-5-3-4-6-8-12)10-21-11-15(18,19)14(16)17/h7,13-14,20H,2-6,8-11H2,1H3.
What are the key properties of N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine has a molecular weight of 311.36 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 106654849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).