(2,2-difluorocyclobutyl)methanamine;hydrochloride

C5H10ClF2N — CID 127263313

IUPAC(2,2-difluorocyclobutyl)methanamine;hydrochloride
SMILESCl.NCC1CCC1(F)F
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)2-1-4(5)3-8;/h4H,1-3,8H2;1H
InChIKeyYBIVAKBKIJCQGS-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.41
Rot. Bonds1

About (2,2-difluorocyclobutyl)methanamine;hydrochloride

(2,2-difluorocyclobutyl)methanamine;hydrochloride (PubChem CID 127263313) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is (2,2-difluorocyclobutyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,2-difluorocyclobutyl)methanamine;hydrochloride
PubChem CID127263313
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name(2,2-difluorocyclobutyl)methanamine;hydrochloride
SMILESCl.NCC1CCC1(F)F
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)2-1-4(5)3-8;/h4H,1-3,8H2;1H
InChIKeyYBIVAKBKIJCQGS-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclobutyl)methanamine;hydrochloride?
The IUPAC name of (2,2-difluorocyclobutyl)methanamine;hydrochloride (CID 127263313) is (2,2-difluorocyclobutyl)methanamine;hydrochloride.
What is the SMILES notation for (2,2-difluorocyclobutyl)methanamine;hydrochloride?
The canonical SMILES for (2,2-difluorocyclobutyl)methanamine;hydrochloride is Cl.NCC1CCC1(F)F.
What is the InChIKey of (2,2-difluorocyclobutyl)methanamine;hydrochloride?
The InChIKey is YBIVAKBKIJCQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-4(5)3-8;/h4H,1-3,8H2;1H.
What are the key properties of (2,2-difluorocyclobutyl)methanamine;hydrochloride?
(2,2-difluorocyclobutyl)methanamine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclobutyl)methanamine;hydrochloride is sourced from PubChem (CID 127263313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).