N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

C9H17F4NO — CID 62455622

IUPACN-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCCNCCCCOCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO/c1-2-14-5-3-4-6-15-7-9(12,13)8(10)11/h8,14H,2-7H2,1H3
InChIKeyPCCIZQHWHAAOTO-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.29
Rot. Bonds9

About N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (PubChem CID 62455622) has the molecular formula C9H17F4NO and a molecular weight of 231.23 g/mol. Its IUPAC name is N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
PubChem CID62455622
Molecular FormulaC9H17F4NO
Molecular Weight231.23 g/mol
Exact Mass231.12
IUPAC NameN-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCCNCCCCOCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO/c1-2-14-5-3-4-6-15-7-9(12,13)8(10)11/h8,14H,2-7H2,1H3
InChIKeyPCCIZQHWHAAOTO-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62455623
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
5-(2-butoxyethoxy)-N-ethylpentan-1-amine
CID 62456764
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
CID 66227733
N-ethyl-4-(2-methylpropoxy)butan-1-amine
CID 62445495
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
CID 55248600
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The IUPAC name of N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (CID 62455622) is N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The canonical SMILES for N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is CCNCCCCOCC(F)(F)C(F)F.
What is the InChIKey of N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The InChIKey is PCCIZQHWHAAOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO/c1-2-14-5-3-4-6-15-7-9(12,13)8(10)11/h8,14H,2-7H2,1H3.
What are the key properties of N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine has a molecular weight of 231.23 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is sourced from PubChem (CID 62455622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).