3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine

C10H12FNO — CID 54223245

IUPAC3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
SMILESNCC(=CF)COc1ccccc1
InChIInChI=1S/C10H12FNO/c11-6-9(7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2
InChIKeyQECALCOIXVDTFH-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.88
Rot. Bonds4

About 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine

3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine (PubChem CID 54223245) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
PubChem CID54223245
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
SMILESNCC(=CF)COc1ccccc1
InChIInChI=1S/C10H12FNO/c11-6-9(7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2
InChIKeyQECALCOIXVDTFH-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]thiohydroxylamine
CID 134376744
3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 142460811
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine;hydrochloride
CID 162309300
(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369020
(E)-3-fluoro-2-[[4-(methylaminosulfanyl)phenoxy]methyl]prop-2-en-1-amine
CID 134377206
(E)-2-[[4-(1,2-benzoxazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512176
(E)-3-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 150452876
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-ethylbenzenesulfonamide
CID 118117193
4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide
CID 153463842
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzenesulfonamide
CID 118117304
(E)-3-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-pyridinyl]prop-2-enoic acid
CID 175184878
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine?
The IUPAC name of 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine (CID 54223245) is 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine is NCC(=CF)COc1ccccc1.
What is the InChIKey of 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine?
The InChIKey is QECALCOIXVDTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-6-9(7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2.
What are the key properties of 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine?
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine has a molecular weight of 181.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 54223245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).