5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine

C10H19F4NO2 — CID 103475122

IUPAC5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESCOCCC(C)C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO2/c1-7(3-4-16-2)8(15)5-17-6-10(13,14)9(11)12/h7-9H,3-6,15H2,1-2H3
InChIKeyMHKDHTYONVPPFH-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.90
Rot. Bonds9

About 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine

5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (PubChem CID 103475122) has the molecular formula C10H19F4NO2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
PubChem CID103475122
Molecular FormulaC10H19F4NO2
Molecular Weight261.26 g/mol
Exact Mass261.14
IUPAC Name5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESCOCCC(C)C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO2/c1-7(3-4-16-2)8(15)5-17-6-10(13,14)9(11)12/h7-9H,3-6,15H2,1-2H3
InChIKeyMHKDHTYONVPPFH-UHFFFAOYSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
CID 103473645
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
7-ethoxy-1-methoxy-3-methylheptan-4-amine
CID 105185117
1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103474862
1-methoxy-3-methylhexan-2-amine
CID 105008836
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
CID 103475213
N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475397
1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
CID 103475200
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
CID 106293951
5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103474801

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The IUPAC name of 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (CID 103475122) is 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.
What is the SMILES notation for 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The canonical SMILES for 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is COCCC(C)C(N)COCC(F)(F)C(F)F.
What is the InChIKey of 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The InChIKey is MHKDHTYONVPPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO2/c1-7(3-4-16-2)8(15)5-17-6-10(13,14)9(11)12/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine has a molecular weight of 261.26 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is sourced from PubChem (CID 103475122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).