(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol

C11H21F2NO — CID 167082463

IUPAC(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol
SMILESC/C=C\C(NCCC)C(O)(CF)C(C)F
InChIInChI=1S/C11H21F2NO/c1-4-6-10(14-7-5-2)11(15,8-12)9(3)13/h4,6,9-10,14-15H,5,7-8H2,1-3H3/b6-4-
InChIKeyQNBCIBFHGLTVDL-XQRVVYSFSA-N
MW221.29 g/mol
LogP1.99
Rot. Bonds7

About (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol

(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol (PubChem CID 167082463) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol
PubChem CID167082463
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol
SMILESC/C=C\C(NCCC)C(O)(CF)C(C)F
InChIInChI=1S/C11H21F2NO/c1-4-6-10(14-7-5-2)11(15,8-12)9(3)13/h4,6,9-10,14-15H,5,7-8H2,1-3H3/b6-4-
InChIKeyQNBCIBFHGLTVDL-XQRVVYSFSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol?
The IUPAC name of (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol (CID 167082463) is (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol.
What is the SMILES notation for (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol?
The canonical SMILES for (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol is C/C=C\C(NCCC)C(O)(CF)C(C)F.
What is the InChIKey of (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol?
The InChIKey is QNBCIBFHGLTVDL-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-4-6-10(14-7-5-2)11(15,8-12)9(3)13/h4,6,9-10,14-15H,5,7-8H2,1-3H3/b6-4-.
What are the key properties of (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol?
(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol has a molecular weight of 221.29 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol is sourced from PubChem (CID 167082463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).