(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine

C11H12F3NO — CID 59029517

IUPAC(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
SMILESCOc1c(F)cc(C/C(=C/F)CN)cc1F
InChIInChI=1S/C11H12F3NO/c1-16-11-9(13)3-7(4-10(11)14)2-8(5-12)6-15/h3-5H,2,6,15H2,1H3/b8-5-
InChIKeyQQKSZMWSTLOXMA-YVMONPNESA-N
MW231.22 g/mol
LogP2.33
Rot. Bonds4

About (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine

(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 59029517) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
PubChem CID59029517
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
SMILESCOc1c(F)cc(C/C(=C/F)CN)cc1F
InChIInChI=1S/C11H12F3NO/c1-16-11-9(13)3-7(4-10(11)14)2-8(5-12)6-15/h3-5H,2,6,15H2,1H3/b8-5-
InChIKeyQQKSZMWSTLOXMA-YVMONPNESA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982653
(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 58498098
(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 66982716
ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
CID 171008666
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982957
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
(3-fluoro-5-iodo-4-methoxyphenyl)methanamine
CID 171010748
1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one
CID 117287591
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
CID 83886037
3,5-difluoro-4-methoxybenzenethiol
CID 50998081
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine (CID 59029517) is (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine is COc1c(F)cc(C/C(=C/F)CN)cc1F.
What is the InChIKey of (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is QQKSZMWSTLOXMA-YVMONPNESA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-11-9(13)3-7(4-10(11)14)2-8(5-12)6-15/h3-5H,2,6,15H2,1H3/b8-5-.
What are the key properties of (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine?
(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 59029517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).