3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine

C11H20F5N — CID 22637491

IUPAC3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine
SMILESCCCCC(CC)CCNC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5N/c1-3-5-6-9(4-2)7-8-17-11(15,16)10(12,13)14/h9,17H,3-8H2,1-2H3
InChIKeySMEXHPXRDRJWPD-UHFFFAOYSA-N
MW261.28 g/mol
LogP4.34
Rot. Bonds8

About 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine

3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine (PubChem CID 22637491) has the molecular formula C11H20F5N and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine
PubChem CID22637491
Molecular FormulaC11H20F5N
Molecular Weight261.28 g/mol
Exact Mass261.15
IUPAC Name3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine
SMILESCCCCC(CC)CCNC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5N/c1-3-5-6-9(4-2)7-8-17-11(15,16)10(12,13)14/h9,17H,3-8H2,1-2H3
InChIKeySMEXHPXRDRJWPD-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pentylamine, N-ethyl-2-propyl-, hydrochloride
CID 104443
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
((4,4-Difluorocyclohexyl)methyl)(methyl)amine hydrochloride
CID 146049846
(2-Ethylhexyl)(methyl)amine
CID 13127886
4-(3,3-Difluorobutyl)piperidine
CID 84656072
((4-(Difluoromethyl)cyclohexyl)methyl)(methyl)amine hydrochloride
CID 154853012
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
Methyl(2-propylpentyl)amine
CID 104442
N-ethyl-2-propylpentan-1-amine
CID 104444
N-Butyl-2-ethylhexylamine
CID 108563
2-Ethyl-N-propylhexylamine
CID 6455076

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine?
The IUPAC name of 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine (CID 22637491) is 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine?
The canonical SMILES for 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine is CCCCC(CC)CCNC(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine?
The InChIKey is SMEXHPXRDRJWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F5N/c1-3-5-6-9(4-2)7-8-17-11(15,16)10(12,13)14/h9,17H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine?
3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine has a molecular weight of 261.28 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine is sourced from PubChem (CID 22637491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).