3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol

C14H18FNO — CID 155002866

IUPAC3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol
SMILESC=C(C)N(/C=C\C)C(C)c1cc(O)cc(F)c1
InChIInChI=1S/C14H18FNO/c1-5-6-16(10(2)3)11(4)12-7-13(15)9-14(17)8-12/h5-9,11,17H,2H2,1,3-4H3/b6-5-
InChIKeyXLXZNZGYOYZSJL-WAYWQWQTSA-N
MW235.30 g/mol
LogP3.96
Rot. Bonds4

About 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol

3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol (PubChem CID 155002866) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol
PubChem CID155002866
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol
SMILESC=C(C)N(/C=C\C)C(C)c1cc(O)cc(F)c1
InChIInChI=1S/C14H18FNO/c1-5-6-16(10(2)3)11(4)12-7-13(15)9-14(17)8-12/h5-9,11,17H,2H2,1,3-4H3/b6-5-
InChIKeyXLXZNZGYOYZSJL-WAYWQWQTSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol?
The IUPAC name of 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol (CID 155002866) is 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol?
The canonical SMILES for 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol is C=C(C)N(/C=C\C)C(C)c1cc(O)cc(F)c1.
What is the InChIKey of 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol?
The InChIKey is XLXZNZGYOYZSJL-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H18FNO/c1-5-6-16(10(2)3)11(4)12-7-13(15)9-14(17)8-12/h5-9,11,17H,2H2,1,3-4H3/b6-5-.
What are the key properties of 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol?
3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol has a molecular weight of 235.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[1-[[(Z)-prop-1-enyl]-prop-1-en-2-ylamino]ethyl]phenol is sourced from PubChem (CID 155002866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).