(E)-N-(fluoromethyl)pent-2-en-2-amine

C6H12FN — CID 156541908

IUPAC(E)-N-(fluoromethyl)pent-2-en-2-amine
SMILESCC/C=C(\C)NCF
InChIInChI=1S/C6H12FN/c1-3-4-6(2)8-5-7/h4,8H,3,5H2,1-2H3/b6-4+
InChIKeyKZAOSHHYKIQTMC-GQCTYLIASA-N
MW117.17 g/mol
LogP1.82
Rot. Bonds3

About (E)-N-(fluoromethyl)pent-2-en-2-amine

(E)-N-(fluoromethyl)pent-2-en-2-amine (PubChem CID 156541908) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (E)-N-(fluoromethyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-(fluoromethyl)pent-2-en-2-amine
PubChem CID156541908
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(E)-N-(fluoromethyl)pent-2-en-2-amine
SMILESCC/C=C(\C)NCF
InChIInChI=1S/C6H12FN/c1-3-4-6(2)8-5-7/h4,8H,3,5H2,1-2H3/b6-4+
InChIKeyKZAOSHHYKIQTMC-GQCTYLIASA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrroline, 2-ethyl-
CID 23422339
5-methyl-2,3-dihydro-1H-pyrrole
CID 19816704
(E)-5-fluoro-N-methyloct-2-en-2-amine
CID 89209365
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
(Z)-3-fluoro-N-methylpent-2-en-2-amine
CID 89419652
3,5-difluoro-N-methylcyclopenta-1,3-dien-1-amine
CID 117753793
3-fluoro-N-methylcyclopenta-1,3-dien-1-amine
CID 117753829
4-fluoro-N-methylcyclopenta-1,4-dien-1-amine
CID 117753845
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
(E)-4-fluoro-N-methylbut-2-en-2-amine
CID 129208250
(Z)-1,1,1-trifluoro-N-methylpent-2-en-2-amine
CID 129271894
(E)-N-(fluoromethyl)hex-3-en-3-amine
CID 129273358

Frequently Asked Questions

What is the IUPAC name of (E)-N-(fluoromethyl)pent-2-en-2-amine?
The IUPAC name of (E)-N-(fluoromethyl)pent-2-en-2-amine (CID 156541908) is (E)-N-(fluoromethyl)pent-2-en-2-amine.
What is the SMILES notation for (E)-N-(fluoromethyl)pent-2-en-2-amine?
The canonical SMILES for (E)-N-(fluoromethyl)pent-2-en-2-amine is CC/C=C(\C)NCF.
What is the InChIKey of (E)-N-(fluoromethyl)pent-2-en-2-amine?
The InChIKey is KZAOSHHYKIQTMC-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12FN/c1-3-4-6(2)8-5-7/h4,8H,3,5H2,1-2H3/b6-4+.
What are the key properties of (E)-N-(fluoromethyl)pent-2-en-2-amine?
(E)-N-(fluoromethyl)pent-2-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(fluoromethyl)pent-2-en-2-amine is sourced from PubChem (CID 156541908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).