1-fluoro-2-(prop-2-enylamino)octan-3-ol

C11H22FNO — CID 88766538

IUPAC1-fluoro-2-(prop-2-enylamino)octan-3-ol
SMILESC=CCNC(CF)C(O)CCCCC
InChIInChI=1S/C11H22FNO/c1-3-5-6-7-11(14)10(9-12)13-8-4-2/h4,10-11,13-14H,2-3,5-9H2,1H3
InChIKeyNQXIWJBXPHTMSN-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.04
Rot. Bonds9

About 1-fluoro-2-(prop-2-enylamino)octan-3-ol

1-fluoro-2-(prop-2-enylamino)octan-3-ol (PubChem CID 88766538) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-fluoro-2-(prop-2-enylamino)octan-3-ol.

Molecular Properties

Compound Name1-fluoro-2-(prop-2-enylamino)octan-3-ol
PubChem CID88766538
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-fluoro-2-(prop-2-enylamino)octan-3-ol
SMILESC=CCNC(CF)C(O)CCCCC
InChIInChI=1S/C11H22FNO/c1-3-5-6-7-11(14)10(9-12)13-8-4-2/h4,10-11,13-14H,2-3,5-9H2,1H3
InChIKeyNQXIWJBXPHTMSN-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(prop-2-enylamino)octan-3-ol?
The IUPAC name of 1-fluoro-2-(prop-2-enylamino)octan-3-ol (CID 88766538) is 1-fluoro-2-(prop-2-enylamino)octan-3-ol.
What is the SMILES notation for 1-fluoro-2-(prop-2-enylamino)octan-3-ol?
The canonical SMILES for 1-fluoro-2-(prop-2-enylamino)octan-3-ol is C=CCNC(CF)C(O)CCCCC.
What is the InChIKey of 1-fluoro-2-(prop-2-enylamino)octan-3-ol?
The InChIKey is NQXIWJBXPHTMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-3-5-6-7-11(14)10(9-12)13-8-4-2/h4,10-11,13-14H,2-3,5-9H2,1H3.
What are the key properties of 1-fluoro-2-(prop-2-enylamino)octan-3-ol?
1-fluoro-2-(prop-2-enylamino)octan-3-ol has a molecular weight of 203.30 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(prop-2-enylamino)octan-3-ol is sourced from PubChem (CID 88766538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).