(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine

C10H11F2N — CID 66982900

IUPAC(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
SMILESNC/C(=C/F)Cc1ccc(F)cc1
InChIInChI=1S/C10H11F2N/c11-6-9(7-13)5-8-1-3-10(12)4-2-8/h1-4,6H,5,7,13H2/b9-6+
InChIKeyTWXVWJNDRAJCJF-RMKNXTFCSA-N
MW183.20 g/mol
LogP2.18
Rot. Bonds3

About (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine (PubChem CID 66982900) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
PubChem CID66982900
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
SMILESNC/C(=C/F)Cc1ccc(F)cc1
InChIInChI=1S/C10H11F2N/c11-6-9(7-13)5-8-1-3-10(12)4-2-8/h1-4,6H,5,7,13H2/b9-6+
InChIKeyTWXVWJNDRAJCJF-RMKNXTFCSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 25013780
(2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine
CID 59847625
(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982653
3-fluoro-2-[(3-fluorophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983127
(Z)-2-[(2,5-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 25013630
(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 66982716
(Z)-2-[(3,5-difluoro-4-methoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 59029517
1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)
CID 87754590
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982957
(Z)-3-fluoro-2-[(2-fluoro-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 58498098
(Z)-5-(4-fluorophenyl)-4-methylpent-3-en-2-ol
CID 114835346
ethane;(4-fluorophenyl)methanamine
CID 142071105

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine (CID 66982900) is (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine is NC/C(=C/F)Cc1ccc(F)cc1.
What is the InChIKey of (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine?
The InChIKey is TWXVWJNDRAJCJF-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H11F2N/c11-6-9(7-13)5-8-1-3-10(12)4-2-8/h1-4,6H,5,7,13H2/b9-6+.
What are the key properties of (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 66982900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).