1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine

C13H17ClFN — CID 117356588

IUPAC1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine
SMILESCC(C)(F)c1ccc(C2(N)CCC2)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-12(2,15)9-4-5-10(11(14)8-9)13(16)6-3-7-13/h4-5,8H,3,6-7,16H2,1-2H3
InChIKeyKAJWDOOOMALWQH-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.88
Rot. Bonds2

About 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine

1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 117356588) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine
PubChem CID117356588
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine
SMILESCC(C)(F)c1ccc(C2(N)CCC2)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-12(2,15)9-4-5-10(11(14)8-9)13(16)6-3-7-13/h4-5,8H,3,6-7,16H2,1-2H3
InChIKeyKAJWDOOOMALWQH-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine (CID 117356588) is 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine is CC(C)(F)c1ccc(C2(N)CCC2)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is KAJWDOOOMALWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-12(2,15)9-4-5-10(11(14)8-9)13(16)6-3-7-13/h4-5,8H,3,6-7,16H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine?
1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117356588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).