(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine

C6H12FN — CID 122674591

IUPAC(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine
SMILESC/C=C(\F)[C@H](C)NC
InChIInChI=1S/C6H12FN/c1-4-6(7)5(2)8-3/h4-5,8H,1-3H3/b6-4-/t5-/m0/s1
InChIKeyVIMMBEOJJUMLFE-YIWIKUPCSA-N
MW117.17 g/mol
LogP1.47
Rot. Bonds2

About (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine

(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine (PubChem CID 122674591) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine
PubChem CID122674591
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine
SMILESC/C=C(\F)[C@H](C)NC
InChIInChI=1S/C6H12FN/c1-4-6(7)5(2)8-3/h4-5,8H,1-3H3/b6-4-/t5-/m0/s1
InChIKeyVIMMBEOJJUMLFE-YIWIKUPCSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethyl-3-pyrroline
CID 101066
(2R,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
CID 7003739
2-methyl-2,5-dihydro-1H-pyrrole
CID 21492268
2-(fluoromethyl)-2,5-dihydro-1H-pyrrolehydrochloride
CID 155821458
Pyridine, 1,2,5,6-tetrahydro-2-methyl-
CID 5231252
(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
CID 7003737
(3E)-1-fluoro-3-penten-2-amine
CID 20466291
(E)-1-fluorohex-3-ene-2,5-diamine
CID 20466304
1-Fluorohex-3-ene-2,5-diamine
CID 54043779
1-Fluoro-2-amino-3-pentene
CID 54234781
(E)-3-fluoropent-2-en-1-amine
CID 89018765
(5E)-2,4,6-trifluorohepta-1,5-dien-3-amine
CID 89074179

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine?
The IUPAC name of (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine (CID 122674591) is (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine.
What is the SMILES notation for (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine?
The canonical SMILES for (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine is C/C=C(\F)[C@H](C)NC.
What is the InChIKey of (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine?
The InChIKey is VIMMBEOJJUMLFE-YIWIKUPCSA-N. The full InChI is InChI=1S/C6H12FN/c1-4-6(7)5(2)8-3/h4-5,8H,1-3H3/b6-4-/t5-/m0/s1.
What are the key properties of (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine?
(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-3-fluoro-N-methylpent-3-en-2-amine is sourced from PubChem (CID 122674591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).