(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine

C11H13F2NO — CID 58498098

IUPAC(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
SMILESCOc1ccc(F)c(C/C(=C/F)CN)c1
InChIInChI=1S/C11H13F2NO/c1-15-10-2-3-11(13)9(5-10)4-8(6-12)7-14/h2-3,5-6H,4,7,14H2,1H3/b8-6-
InChIKeyNFYYRYANIFXBIM-VURMDHGXSA-N
MW213.23 g/mol
LogP2.19
Rot. Bonds4

About (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine

(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine (PubChem CID 58498098) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
PubChem CID58498098
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
SMILESCOc1ccc(F)c(C/C(=C/F)CN)c1
InChIInChI=1S/C11H13F2NO/c1-15-10-2-3-11(13)9(5-10)4-8(6-12)7-14/h2-3,5-6H,4,7,14H2,1H3/b8-6-
InChIKeyNFYYRYANIFXBIM-VURMDHGXSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 25013777
(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine
CID 59029480
3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66982930
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983444
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
(Z)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 25013780
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
(2-fluoro-5-methoxyphenyl)methyl-dimethyl-propan-2-ylazanium
CID 170413478

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine (CID 58498098) is (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine is COc1ccc(F)c(C/C(=C/F)CN)c1.
What is the InChIKey of (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine?
The InChIKey is NFYYRYANIFXBIM-VURMDHGXSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-10-2-3-11(13)9(5-10)4-8(6-12)7-14/h2-3,5-6H,4,7,14H2,1H3/b8-6-.
What are the key properties of (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine has a molecular weight of 213.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 58498098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).