(3-fluorocyclobutyl)methanamine;hydrochloride

C5H11ClFN — CID 74889982

IUPAC(3-fluorocyclobutyl)methanamine;hydrochloride
SMILESCl.NCC1CC(F)C1
InChIInChI=1S/C5H10FN.ClH/c6-5-1-4(2-5)3-7;/h4-5H,1-3,7H2;1H
InChIKeyRSRVCWQDMQZMET-UHFFFAOYSA-N
MW139.60 g/mol
LogP1.12
Rot. Bonds1

About (3-fluorocyclobutyl)methanamine;hydrochloride

(3-fluorocyclobutyl)methanamine;hydrochloride (PubChem CID 74889982) has the molecular formula C5H11ClFN and a molecular weight of 139.60 g/mol. Its IUPAC name is (3-fluorocyclobutyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-fluorocyclobutyl)methanamine;hydrochloride
PubChem CID74889982
Molecular FormulaC5H11ClFN
Molecular Weight139.60 g/mol
Exact Mass139.06
IUPAC Name(3-fluorocyclobutyl)methanamine;hydrochloride
SMILESCl.NCC1CC(F)C1
InChIInChI=1S/C5H10FN.ClH/c6-5-1-4(2-5)3-7;/h4-5H,1-3,7H2;1H
InChIKeyRSRVCWQDMQZMET-UHFFFAOYSA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.60
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl)methanamine;hydrochloride?
The IUPAC name of (3-fluorocyclobutyl)methanamine;hydrochloride (CID 74889982) is (3-fluorocyclobutyl)methanamine;hydrochloride.
What is the SMILES notation for (3-fluorocyclobutyl)methanamine;hydrochloride?
The canonical SMILES for (3-fluorocyclobutyl)methanamine;hydrochloride is Cl.NCC1CC(F)C1.
What is the InChIKey of (3-fluorocyclobutyl)methanamine;hydrochloride?
The InChIKey is RSRVCWQDMQZMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN.ClH/c6-5-1-4(2-5)3-7;/h4-5H,1-3,7H2;1H.
What are the key properties of (3-fluorocyclobutyl)methanamine;hydrochloride?
(3-fluorocyclobutyl)methanamine;hydrochloride has a molecular weight of 139.60 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl)methanamine;hydrochloride is sourced from PubChem (CID 74889982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).