2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine

C8H8ClF2N — CID 112562799

IUPAC2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine
SMILESNCC(F)c1ccc(Cl)cc1F
InChIInChI=1S/C8H8ClF2N/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2
InChIKeyIPLOGFLPPBGUQP-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.45
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine

2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine (PubChem CID 112562799) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine
PubChem CID112562799
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine
SMILESNCC(F)c1ccc(Cl)cc1F
InChIInChI=1S/C8H8ClF2N/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2
InChIKeyIPLOGFLPPBGUQP-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 114842824
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
CID 174572103
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
4-amino-3-(4-chloro-2-fluorophenyl)butan-2-one;ethane
CID 143607316
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
1-(4-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842933
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
CID 175839043
1-(4-chloro-2-fluorophenyl)-N-prop-2-ynylethane-1,2-diamine
CID 114843243
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine (CID 112562799) is 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine is NCC(F)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine?
The InChIKey is IPLOGFLPPBGUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine?
2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine has a molecular weight of 191.61 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 112562799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).