1-(difluoromethyl)cyclobutan-1-amine;hydrochloride

C5H10ClF2N — CID 134691140

IUPAC1-(difluoromethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(C(F)F)CCC1
InChIInChI=1S/C5H9F2N.ClH/c6-4(7)5(8)2-1-3-5;/h4H,1-3,8H2;1H
InChIKeyBELLUBNZMNXIAA-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.55
Rot. Bonds1

About 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride

1-(difluoromethyl)cyclobutan-1-amine;hydrochloride (PubChem CID 134691140) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)cyclobutan-1-amine;hydrochloride
PubChem CID134691140
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name1-(difluoromethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(C(F)F)CCC1
InChIInChI=1S/C5H9F2N.ClH/c6-4(7)5(8)2-1-3-5;/h4H,1-3,8H2;1H
InChIKeyBELLUBNZMNXIAA-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride (CID 134691140) is 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride is Cl.NC1(C(F)F)CCC1.
What is the InChIKey of 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is BELLUBNZMNXIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-4(7)5(8)2-1-3-5;/h4H,1-3,8H2;1H.
What are the key properties of 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride?
1-(difluoromethyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 134691140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).