(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine

C11H14FNO — CID 66982604

IUPAC(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine
SMILESCOc1ccccc1C/C=C(\F)CN
InChIInChI=1S/C11H14FNO/c1-14-11-5-3-2-4-9(11)6-7-10(12)8-13/h2-5,7H,6,8,13H2,1H3/b10-7-
InChIKeyZRJYKQSDWCTQDT-YFHOEESVSA-N
MW195.24 g/mol
LogP2.05
Rot. Bonds4

About (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine

(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine (PubChem CID 66982604) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine
PubChem CID66982604
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine
SMILESCOc1ccccc1C/C=C(\F)CN
InChIInChI=1S/C11H14FNO/c1-14-11-5-3-2-4-9(11)6-7-10(12)8-13/h2-5,7H,6,8,13H2,1H3/b10-7-
InChIKeyZRJYKQSDWCTQDT-YFHOEESVSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
CID 66982700
ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate
CID 66983148
(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
CID 13468543
(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390
2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983257
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895
[(2-methoxyphenyl)methylamino] 2-aminoacetate
CID 57254589
5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
lithium (2-methoxyphenyl)methanolate
CID 139799103

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine?
The IUPAC name of (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine (CID 66982604) is (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine.
What is the SMILES notation for (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine?
The canonical SMILES for (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine is COc1ccccc1C/C=C(\F)CN.
What is the InChIKey of (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine?
The InChIKey is ZRJYKQSDWCTQDT-YFHOEESVSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11-5-3-2-4-9(11)6-7-10(12)8-13/h2-5,7H,6,8,13H2,1H3/b10-7-.
What are the key properties of (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine?
(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine is sourced from PubChem (CID 66982604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).