2-(aminomethyl)-7-fluoronon-1-en-4-ol

C10H20FNO — CID 123683644

IUPAC2-(aminomethyl)-7-fluoronon-1-en-4-ol
SMILESC=C(CN)CC(O)CCC(F)CC
InChIInChI=1S/C10H20FNO/c1-3-9(11)4-5-10(13)6-8(2)7-12/h9-10,13H,2-7,12H2,1H3
InChIKeyYDSRFVZUBRDYRB-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.78
Rot. Bonds7

About 2-(aminomethyl)-7-fluoronon-1-en-4-ol

2-(aminomethyl)-7-fluoronon-1-en-4-ol (PubChem CID 123683644) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-(aminomethyl)-7-fluoronon-1-en-4-ol.

Molecular Properties

Compound Name2-(aminomethyl)-7-fluoronon-1-en-4-ol
PubChem CID123683644
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-(aminomethyl)-7-fluoronon-1-en-4-ol
SMILESC=C(CN)CC(O)CCC(F)CC
InChIInChI=1S/C10H20FNO/c1-3-9(11)4-5-10(13)6-8(2)7-12/h9-10,13H,2-7,12H2,1H3
InChIKeyYDSRFVZUBRDYRB-UHFFFAOYSA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-6,6-difluoro-7-methylidenenonan-5-ol
CID 173314602
(2R)-5-amino-6-methylideneoctan-2-ol;ethane
CID 145401106
10-Amino-8-methylidenedecan-4-ol
CID 174261451
ethanamine;(2S,4Z)-4-(fluoromethylidene)hexan-2-ol
CID 177009120
(2R)-5-amino-6-methylideneoctan-2-ol
CID 145401107

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-fluoronon-1-en-4-ol?
The IUPAC name of 2-(aminomethyl)-7-fluoronon-1-en-4-ol (CID 123683644) is 2-(aminomethyl)-7-fluoronon-1-en-4-ol.
What is the SMILES notation for 2-(aminomethyl)-7-fluoronon-1-en-4-ol?
The canonical SMILES for 2-(aminomethyl)-7-fluoronon-1-en-4-ol is C=C(CN)CC(O)CCC(F)CC.
What is the InChIKey of 2-(aminomethyl)-7-fluoronon-1-en-4-ol?
The InChIKey is YDSRFVZUBRDYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-3-9(11)4-5-10(13)6-8(2)7-12/h9-10,13H,2-7,12H2,1H3.
What are the key properties of 2-(aminomethyl)-7-fluoronon-1-en-4-ol?
2-(aminomethyl)-7-fluoronon-1-en-4-ol has a molecular weight of 189.27 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-fluoronon-1-en-4-ol is sourced from PubChem (CID 123683644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).