(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride

C7H14ClF2NO — CID 155822311

IUPAC(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](C(F)F)C1CCOCC1
InChIInChI=1S/C7H13F2NO.ClH/c8-7(9)6(10)5-1-3-11-4-2-5;/h5-7H,1-4,10H2;1H/t6-;/m0./s1
InChIKeyFSHNIZLDJNJIAN-RGMNGODLSA-N
MW201.64 g/mol
LogP1.43
Rot. Bonds2

About (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride

(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride (PubChem CID 155822311) has the molecular formula C7H14ClF2NO and a molecular weight of 201.64 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride
PubChem CID155822311
Molecular FormulaC7H14ClF2NO
Molecular Weight201.64 g/mol
Exact Mass201.07
IUPAC Name(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](C(F)F)C1CCOCC1
InChIInChI=1S/C7H13F2NO.ClH/c8-7(9)6(10)5-1-3-11-4-2-5;/h5-7H,1-4,10H2;1H/t6-;/m0./s1
InChIKeyFSHNIZLDJNJIAN-RGMNGODLSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride (CID 155822311) is (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride is Cl.N[C@H](C(F)F)C1CCOCC1.
What is the InChIKey of (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride?
The InChIKey is FSHNIZLDJNJIAN-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13F2NO.ClH/c8-7(9)6(10)5-1-3-11-4-2-5;/h5-7H,1-4,10H2;1H/t6-;/m0./s1.
What are the key properties of (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride?
(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride has a molecular weight of 201.64 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 155822311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).