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

C10H12ClF2N — CID 112566175

IUPAC2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClF2N/c1-2-10(13,6-14)8-4-3-7(11)5-9(8)12/h3-5H,2,6,14H2,1H3
InChIKeyJIKYNEPQCKCDJH-UHFFFAOYSA-N
MW219.66 g/mol
LogP3.01
Rot. Bonds3

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

2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine (PubChem CID 112566175) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine
PubChem CID112566175
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClF2N/c1-2-10(13,6-14)8-4-3-7(11)5-9(8)12/h3-5H,2,6,14H2,1H3
InChIKeyJIKYNEPQCKCDJH-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-fluorobutan-1-amine
CID 105396365
(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol
CID 83699928
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401188
2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide
CID 63888195

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine (CID 112566175) is 2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine is CCC(F)(CN)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine?
The InChIKey is JIKYNEPQCKCDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-2-10(13,6-14)8-4-3-7(11)5-9(8)12/h3-5H,2,6,14H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine?
2-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-2-fluorobutan-1-amine is sourced from PubChem (CID 112566175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).