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

C10H12ClF2N — CID 105396365

IUPAC2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)c1cc(F)ccc1Cl
InChIInChI=1S/C10H12ClF2N/c1-2-10(13,6-14)8-5-7(12)3-4-9(8)11/h3-5H,2,6,14H2,1H3
InChIKeyLXERGCSYNXNFTA-UHFFFAOYSA-N
MW219.66 g/mol
LogP3.01
Rot. Bonds3

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

2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine (PubChem CID 105396365) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine
PubChem CID105396365
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)c1cc(F)ccc1Cl
InChIInChI=1S/C10H12ClF2N/c1-2-10(13,6-14)8-5-7(12)3-4-9(8)11/h3-5H,2,6,14H2,1H3
InChIKeyLXERGCSYNXNFTA-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine
CID 112566175
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 105394112
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
2-(2-chloro-4-fluorophenyl)-2-ethoxypropan-1-amine
CID 66071336
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine (CID 105396365) is 2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine is CCC(F)(CN)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine?
The InChIKey is LXERGCSYNXNFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-2-10(13,6-14)8-5-7(12)3-4-9(8)11/h3-5H,2,6,14H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine?
2-(2-chloro-5-fluorophenyl)-2-fluorobutan-1-amine has a molecular weight of 219.66 g/mol, XLogP of 3.01, 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)-2-fluorobutan-1-amine is sourced from PubChem (CID 105396365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).