ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol

C9H20FNO — CID 177009120

IUPACethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol
SMILESCC/C(=C/F)C[C@H](C)O.CCN
InChIInChI=1S/C7H13FO.C2H7N/c1-3-7(5-8)4-6(2)9;1-2-3/h5-6,9H,3-4H2,1-2H3;2-3H2,1H3/b7-5-;/t6-;/m0./s1
InChIKeyAEWHPVZDQSMLGL-DOKICDEISA-N
MW177.26 g/mol
LogP1.99
Rot. Bonds3

About ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol

ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol (PubChem CID 177009120) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol.

Molecular Properties

Compound Nameethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol
PubChem CID177009120
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Nameethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol
SMILESCC/C(=C/F)C[C@H](C)O.CCN
InChIInChI=1S/C7H13FO.C2H7N/c1-3-7(5-8)4-6(2)9;1-2-3/h5-6,9H,3-4H2,1-2H3;2-3H2,1H3/b7-5-;/t6-;/m0./s1
InChIKeyAEWHPVZDQSMLGL-DOKICDEISA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-7-fluoronon-1-en-4-ol
CID 123683644
1-Amino-6,6-difluoro-7-methylidenenonan-5-ol
CID 173314602

Frequently Asked Questions

What is the IUPAC name of ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol?
The IUPAC name of ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol (CID 177009120) is ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol.
What is the SMILES notation for ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol?
The canonical SMILES for ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol is CC/C(=C/F)C[C@H](C)O.CCN.
What is the InChIKey of ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol?
The InChIKey is AEWHPVZDQSMLGL-DOKICDEISA-N. The full InChI is InChI=1S/C7H13FO.C2H7N/c1-3-7(5-8)4-6(2)9;1-2-3/h5-6,9H,3-4H2,1-2H3;2-3H2,1H3/b7-5-;/t6-;/m0./s1.
What are the key properties of ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol?
ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol has a molecular weight of 177.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol is sourced from PubChem (CID 177009120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).