(4,4-difluorooxolan-3-yl)methanamine;hydrochloride

C5H10ClF2NO — CID 126844441

IUPAC(4,4-difluorooxolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1COCC1(F)F
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-9-2-4(5)1-8;/h4H,1-3,8H2;1H
InChIKeyJWZQIPYVQZZQBG-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.65
Rot. Bonds1

About (4,4-difluorooxolan-3-yl)methanamine;hydrochloride

(4,4-difluorooxolan-3-yl)methanamine;hydrochloride (PubChem CID 126844441) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is (4,4-difluorooxolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4,4-difluorooxolan-3-yl)methanamine;hydrochloride
PubChem CID126844441
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name(4,4-difluorooxolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1COCC1(F)F
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-9-2-4(5)1-8;/h4H,1-3,8H2;1H
InChIKeyJWZQIPYVQZZQBG-UHFFFAOYSA-N
XLogP0.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorooxolan-3-yl)methanamine;hydrochloride?
The IUPAC name of (4,4-difluorooxolan-3-yl)methanamine;hydrochloride (CID 126844441) is (4,4-difluorooxolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (4,4-difluorooxolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (4,4-difluorooxolan-3-yl)methanamine;hydrochloride is Cl.NCC1COCC1(F)F.
What is the InChIKey of (4,4-difluorooxolan-3-yl)methanamine;hydrochloride?
The InChIKey is JWZQIPYVQZZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)3-9-2-4(5)1-8;/h4H,1-3,8H2;1H.
What are the key properties of (4,4-difluorooxolan-3-yl)methanamine;hydrochloride?
(4,4-difluorooxolan-3-yl)methanamine;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorooxolan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126844441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).