[3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride

C6H12ClF2N — CID 138039885

IUPAC[3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride
SMILESCl.NCC1CC(C(F)F)C1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)5-1-4(2-5)3-9;/h4-6H,1-3,9H2;1H
InChIKeyKPCWRDCQMZHACI-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.66
Rot. Bonds2

About [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride

[3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride (PubChem CID 138039885) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride
PubChem CID138039885
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name[3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride
SMILESCl.NCC1CC(C(F)F)C1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)5-1-4(2-5)3-9;/h4-6H,1-3,9H2;1H
InChIKeyKPCWRDCQMZHACI-UHFFFAOYSA-N
XLogP1.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(difluoromethyl)cyclobutyl]acetamide
CID 123369829
3-(difluoromethyl)cyclopentan-1-amine
CID 84716159
3-(aminomethyl)cyclobutan-1-ol;hydrochloride
CID 71651055
[3-(difluoromethyl)cyclopentyl]methanol
CID 84716410
[4-(1-fluoroethyl)cyclohexyl]methanamine
CID 84764155
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
[3-(aminomethyl)cyclobutyl]-trifluoroboranuide
CID 55270326
azane;3-bicyclo[3.1.0]hexanylmethanamine
CID 70417036
[4-(2,3,3,3-tetrafluoropropyl)cyclohexyl]methanamine
CID 84735882
[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine
CID 98469517
[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine
CID 167732628
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride?
The IUPAC name of [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride (CID 138039885) is [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride?
The canonical SMILES for [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride is Cl.NCC1CC(C(F)F)C1.
What is the InChIKey of [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride?
The InChIKey is KPCWRDCQMZHACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c7-6(8)5-1-4(2-5)3-9;/h4-6H,1-3,9H2;1H.
What are the key properties of [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride?
[3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride is sourced from PubChem (CID 138039885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).