N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline

C10H11ClFN — CID 103792010

IUPACN-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NC/C=C/Cl)ccc1F
InChIInChI=1S/C10H11ClFN/c1-8-7-9(3-4-10(8)12)13-6-2-5-11/h2-5,7,13H,6H2,1H3/b5-2+
InChIKeyHALZIUCBCNPLQY-GORDUTHDSA-N
MW199.66 g/mol
LogP3.30
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline

N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline (PubChem CID 103792010) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline
PubChem CID103792010
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NC/C=C/Cl)ccc1F
InChIInChI=1S/C10H11ClFN/c1-8-7-9(3-4-10(8)12)13-6-2-5-11/h2-5,7,13H,6H2,1H3/b5-2+
InChIKeyHALZIUCBCNPLQY-GORDUTHDSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(bromomethyl)-4-fluoro-3-methylaniline
CID 115261522
(Z)-4-(4-fluoro-3-methylanilino)-2-methylbut-2-enoic acid
CID 103249416
4-fluoro-N-(hydrazinylmethyl)-3-methylaniline
CID 115260421
3,5-dichloro-N-[(E)-3-chloroprop-2-enyl]aniline
CID 107899608
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline
CID 107899669
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
3-bromo-N-[(E)-but-2-enyl]-4-fluoroaniline
CID 107899240
4-(chloromethyl)-N-[(E)-3-chloroprop-2-enyl]aniline
CID 107901042
1-N-(4-fluoro-3-methylphenyl)-4-methylpentane-1,4-diamine
CID 115205113
N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline
CID 103791906

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline (CID 103792010) is N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline is Cc1cc(NC/C=C/Cl)ccc1F.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline?
The InChIKey is HALZIUCBCNPLQY-GORDUTHDSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-8-7-9(3-4-10(8)12)13-6-2-5-11/h2-5,7,13H,6H2,1H3/b5-2+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline?
N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline has a molecular weight of 199.66 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 103792010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).