2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine

C9H10ClF2N — CID 83819971

IUPAC2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine
SMILESNCC(CF)c1cc(F)ccc1Cl
InChIInChI=1S/C9H10ClF2N/c10-9-2-1-7(12)3-8(9)6(4-11)5-13/h1-3,6H,4-5,13H2
InChIKeyUSJDOKPTWKHEID-UHFFFAOYSA-N
MW205.63 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine

2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine (PubChem CID 83819971) has the molecular formula C9H10ClF2N and a molecular weight of 205.63 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine
PubChem CID83819971
Molecular FormulaC9H10ClF2N
Molecular Weight205.63 g/mol
Exact Mass205.05
IUPAC Name2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine
SMILESNCC(CF)c1cc(F)ccc1Cl
InChIInChI=1S/C9H10ClF2N/c10-9-2-1-7(12)3-8(9)6(4-11)5-13/h1-3,6H,4-5,13H2
InChIKeyUSJDOKPTWKHEID-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.63
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 83690027
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
1-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171224187
1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 105395209
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171224188

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine (CID 83819971) is 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine is NCC(CF)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine?
The InChIKey is USJDOKPTWKHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c10-9-2-1-7(12)3-8(9)6(4-11)5-13/h1-3,6H,4-5,13H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine?
2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine has a molecular weight of 205.63 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 83819971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).