3-(2,5-difluorophenyl)prop-2-en-1-amine

C9H9F2N — CID 76997167

IUPAC3-(2,5-difluorophenyl)prop-2-en-1-amine
SMILESNCC=Cc1cc(F)ccc1F
InChIInChI=1S/C9H9F2N/c10-8-3-4-9(11)7(6-8)2-1-5-12/h1-4,6H,5,12H2
InChIKeyUQCFHOUDGDYKSC-UHFFFAOYSA-N
MW169.17 g/mol
LogP1.94
Rot. Bonds2

About 3-(2,5-difluorophenyl)prop-2-en-1-amine

3-(2,5-difluorophenyl)prop-2-en-1-amine (PubChem CID 76997167) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)prop-2-en-1-amine
PubChem CID76997167
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name3-(2,5-difluorophenyl)prop-2-en-1-amine
SMILESNCC=Cc1cc(F)ccc1F
InChIInChI=1S/C9H9F2N/c10-8-3-4-9(11)7(6-8)2-1-5-12/h1-4,6H,5,12H2
InChIKeyUQCFHOUDGDYKSC-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile
CID 169463897
2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
(E)-4-(2,5-difluorophenyl)but-3-enoic acid
CID 82282110
(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine
CID 82473430
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 169464324
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine
CID 117295806
(E)-3-(3-bromo-2,4-difluorophenyl)prop-2-en-1-amine
CID 117372632
2-[2,6-bis[(E)-2-(2,5-difluorophenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23816671
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
(E)-4-(2,5-difluorophenyl)but-3-ene-1-sulfonyl chloride
CID 82487103

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)prop-2-en-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)prop-2-en-1-amine (CID 76997167) is 3-(2,5-difluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)prop-2-en-1-amine is NCC=Cc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)prop-2-en-1-amine?
The InChIKey is UQCFHOUDGDYKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c10-8-3-4-9(11)7(6-8)2-1-5-12/h1-4,6H,5,12H2.
What are the key properties of 3-(2,5-difluorophenyl)prop-2-en-1-amine?
3-(2,5-difluorophenyl)prop-2-en-1-amine has a molecular weight of 169.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 76997167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).