(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine

C11H13F2N — CID 25013777

IUPAC(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
SMILESCc1cc(C/C(=C/F)CN)ccc1F
InChIInChI=1S/C11H13F2N/c1-8-4-9(2-3-11(8)13)5-10(6-12)7-14/h2-4,6H,5,7,14H2,1H3/b10-6-
InChIKeyYQMXSXZDHZEHIH-POHAHGRESA-N
MW197.23 g/mol
LogP2.49
Rot. Bonds3

About (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine

(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine (PubChem CID 25013777) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
PubChem CID25013777
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
SMILESCc1cc(C/C(=C/F)CN)ccc1F
InChIInChI=1S/C11H13F2N/c1-8-4-9(2-3-11(8)13)5-10(6-12)7-14/h2-4,6H,5,7,14H2,1H3/b10-6-
InChIKeyYQMXSXZDHZEHIH-POHAHGRESA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66982930
(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 66982900
(Z)-2-[(2,5-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 25013630
1-(4-fluoro-3-methylphenyl)but-3-en-2-one
CID 141051945
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983444
4-[(2E,5E)-2-chlorohepta-2,5-dienyl]-1-fluoro-2-methylbenzene
CID 167217064
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
4-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 39243567
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine (CID 25013777) is (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine is Cc1cc(C/C(=C/F)CN)ccc1F.
What is the InChIKey of (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is YQMXSXZDHZEHIH-POHAHGRESA-N. The full InChI is InChI=1S/C11H13F2N/c1-8-4-9(2-3-11(8)13)5-10(6-12)7-14/h2-4,6H,5,7,14H2,1H3/b10-6-.
What are the key properties of (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 25013777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).