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

C14H25F4NO — CID 104748998

IUPACN-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C1CCCCC1
InChIInChI=1S/C14H25F4NO/c1-2-8-19-12(11-6-4-3-5-7-11)9-20-10-14(17,18)13(15)16/h11-13,19H,2-10H2,1H3
InChIKeyWNKPUMACWHSWBR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.85
Rot. Bonds9

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

N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (PubChem CID 104748998) has the molecular formula C14H25F4NO and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
PubChem CID104748998
Molecular FormulaC14H25F4NO
Molecular Weight299.35 g/mol
Exact Mass299.19
IUPAC NameN-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C1CCCCC1
InChIInChI=1S/C14H25F4NO/c1-2-8-19-12(11-6-4-3-5-7-11)9-20-10-14(17,18)13(15)16/h11-13,19H,2-10H2,1H3
InChIKeyWNKPUMACWHSWBR-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyclohexyl-2-(2-cyclopropylethoxy)ethyl]propan-1-amine
CID 114157400
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
N-[2-(cyclohexylmethoxy)-1-cyclopropylethyl]propan-1-amine
CID 63906067
[1-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477623
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 104748992
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475913
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (CID 104748998) is N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)C(F)F)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The InChIKey is WNKPUMACWHSWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F4NO/c1-2-8-19-12(11-6-4-3-5-7-11)9-20-10-14(17,18)13(15)16/h11-13,19H,2-10H2,1H3.
What are the key properties of N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine has a molecular weight of 299.35 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 104748998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).