2-(5-chloro-2,4-difluorophenyl)butan-2-amine

C10H12ClF2N — CID 130133970

IUPAC2-(5-chloro-2,4-difluorophenyl)butan-2-amine
SMILESCCC(C)(N)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C10H12ClF2N/c1-3-10(2,14)6-4-7(11)9(13)5-8(6)12/h4-5H,3,14H2,1-2H3
InChIKeyQOHDLVPBKIKBCP-UHFFFAOYSA-N
MW219.66 g/mol
LogP3.20
Rot. Bonds2

About 2-(5-chloro-2,4-difluorophenyl)butan-2-amine

2-(5-chloro-2,4-difluorophenyl)butan-2-amine (PubChem CID 130133970) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 2-(5-chloro-2,4-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-2,4-difluorophenyl)butan-2-amine
PubChem CID130133970
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name2-(5-chloro-2,4-difluorophenyl)butan-2-amine
SMILESCCC(C)(N)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C10H12ClF2N/c1-3-10(2,14)6-4-7(11)9(13)5-8(6)12/h4-5H,3,14H2,1-2H3
InChIKeyQOHDLVPBKIKBCP-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-difluorophenyl)butan-2-amine?
The IUPAC name of 2-(5-chloro-2,4-difluorophenyl)butan-2-amine (CID 130133970) is 2-(5-chloro-2,4-difluorophenyl)butan-2-amine.
What is the SMILES notation for 2-(5-chloro-2,4-difluorophenyl)butan-2-amine?
The canonical SMILES for 2-(5-chloro-2,4-difluorophenyl)butan-2-amine is CCC(C)(N)c1cc(Cl)c(F)cc1F.
What is the InChIKey of 2-(5-chloro-2,4-difluorophenyl)butan-2-amine?
The InChIKey is QOHDLVPBKIKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-3-10(2,14)6-4-7(11)9(13)5-8(6)12/h4-5H,3,14H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-difluorophenyl)butan-2-amine?
2-(5-chloro-2,4-difluorophenyl)butan-2-amine has a molecular weight of 219.66 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-difluorophenyl)butan-2-amine is sourced from PubChem (CID 130133970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).