4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine

C10H12ClF2N — CID 103052162

IUPAC4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine
SMILESNCCC(F)Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClF2N/c11-8-1-2-10(13)7(5-8)6-9(12)3-4-14/h1-2,5,9H,3-4,6,14H2
InChIKeyRVIUZRUZUXHMHG-UHFFFAOYSA-N
MW219.66 g/mol
LogP2.71
Rot. Bonds4

About 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine

4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine (PubChem CID 103052162) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine
PubChem CID103052162
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine
SMILESNCCC(F)Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H12ClF2N/c11-8-1-2-10(13)7(5-8)6-9(12)3-4-14/h1-2,5,9H,3-4,6,14H2
InChIKeyRVIUZRUZUXHMHG-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-2-[(5-chloro-2-fluorophenyl)methyl]butanoic acid
CID 103052246
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 103049601
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
1-(5-chloro-2-fluorophenyl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148864
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
4-amino-N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutanamide
CID 115156054
4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 103051283
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
2-(5-chloro-2-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 103049065
[2-(5-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethyl]hydrazine
CID 114028450

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine (CID 103052162) is 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine is NCCC(F)Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine?
The InChIKey is RVIUZRUZUXHMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c11-8-1-2-10(13)7(5-8)6-9(12)3-4-14/h1-2,5,9H,3-4,6,14H2.
What are the key properties of 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine?
4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine has a molecular weight of 219.66 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine is sourced from PubChem (CID 103052162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).