N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine

C9H18FNO — CID 139410521

IUPACN-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine
SMILESC/C=C(/F)COCCNC(C)C
InChIInChI=1S/C9H18FNO/c1-4-9(10)7-12-6-5-11-8(2)3/h4,8,11H,5-7H2,1-3H3/b9-4+
InChIKeyVUMIMLSUDNUJFK-RUDMXATFSA-N
MW175.25 g/mol
LogP1.87
Rot. Bonds6

About N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine

N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine (PubChem CID 139410521) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine
PubChem CID139410521
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine
SMILESC/C=C(/F)COCCNC(C)C
InChIInChI=1S/C9H18FNO/c1-4-9(10)7-12-6-5-11-8(2)3/h4,8,11H,5-7H2,1-3H3/b9-4+
InChIKeyVUMIMLSUDNUJFK-RUDMXATFSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine
CID 139410249
2-but-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 76946772
N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine
CID 76946787
1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
CID 22899053
N-methyl-2-(3-methylbut-2-enoxy)ethanamine
CID 58684011
2-but-2-enoxy-N-ethylethanamine
CID 76940140
N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine
CID 88906931
2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine
CID 134351983
N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine
CID 139356789
2-[(Z)-4-ethoxybut-2-enoxy]ethyl-methylazanium
CID 142389948

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine (CID 139410521) is N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine is C/C=C(/F)COCCNC(C)C.
What is the InChIKey of N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine?
The InChIKey is VUMIMLSUDNUJFK-RUDMXATFSA-N. The full InChI is InChI=1S/C9H18FNO/c1-4-9(10)7-12-6-5-11-8(2)3/h4,8,11H,5-7H2,1-3H3/b9-4+.
What are the key properties of N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine?
N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine has a molecular weight of 175.25 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine is sourced from PubChem (CID 139410521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).