3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine

C12H14ClF2N — CID 102622008

IUPAC3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H14ClF2N/c13-11-2-1-9(14)5-8(11)6-12(15)4-3-10(16)7-12/h1-2,5,10H,3-4,6-7,16H2
InChIKeyGXZXQADKSWECAZ-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.24
Rot. Bonds2

About 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine

3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine (PubChem CID 102622008) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
PubChem CID102622008
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H14ClF2N/c13-11-2-1-9(14)5-8(11)6-12(15)4-3-10(16)7-12/h1-2,5,10H,3-4,6-7,16H2
InChIKeyGXZXQADKSWECAZ-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine (CID 102622008) is 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine is NC1CCC(F)(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine?
The InChIKey is GXZXQADKSWECAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-11-2-1-9(14)5-8(11)6-12(15)4-3-10(16)7-12/h1-2,5,10H,3-4,6-7,16H2.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine?
3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine has a molecular weight of 245.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 102622008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).