3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine

C9H8ClF2N — CID 131272725

IUPAC3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
SMILESNCC=Cc1c(F)ccc(Cl)c1F
InChIInChI=1S/C9H8ClF2N/c10-7-3-4-8(11)6(9(7)12)2-1-5-13/h1-4H,5,13H2
InChIKeyHWFQROLQKVYAGK-UHFFFAOYSA-N
MW203.62 g/mol
LogP2.59
Rot. Bonds2

About 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine

3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine (PubChem CID 131272725) has the molecular formula C9H8ClF2N and a molecular weight of 203.62 g/mol. Its IUPAC name is 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
PubChem CID131272725
Molecular FormulaC9H8ClF2N
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
SMILESNCC=Cc1c(F)ccc(Cl)c1F
InChIInChI=1S/C9H8ClF2N/c10-7-3-4-8(11)6(9(7)12)2-1-5-13/h1-4H,5,13H2
InChIKeyHWFQROLQKVYAGK-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-chloro-2,4,6-trifluorophenyl)prop-2-en-1-amine
CID 117317236
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
(E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117282194
3-(3-chloro-2,6-difluorophenyl)prop-2-enoic acid
CID 2773558
(E)-3-(4-chloro-3-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 117307315
3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-amine
CID 76997048
2-(3-aminoprop-1-enyl)-3-fluorophenol
CID 169463203
4-(3-chloro-2,6-difluorophenyl)but-3-en-2-one
CID 123503283
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
2-(3-aminoprop-1-enyl)-6-fluoro-3-methylbenzaldehyde
CID 169463814
(E)-3-(3-bromo-2,4-difluorophenyl)prop-2-en-1-amine
CID 117372632

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine?
The IUPAC name of 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine (CID 131272725) is 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine is NCC=Cc1c(F)ccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine?
The InChIKey is HWFQROLQKVYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N/c10-7-3-4-8(11)6(9(7)12)2-1-5-13/h1-4H,5,13H2.
What are the key properties of 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine?
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine has a molecular weight of 203.62 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 131272725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).