(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride

C6H12ClF2NO — CID 155821044

IUPAC(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](C(F)F)C1CCOC1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)5(9)4-1-2-10-3-4;/h4-6H,1-3,9H2;1H/t4?,5-;/m0./s1
InChIKeyOKVZBXDUKXVWTQ-YKXIHYLHSA-N
MW187.62 g/mol
LogP1.04
Rot. Bonds2

About (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride

(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride (PubChem CID 155821044) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
PubChem CID155821044
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](C(F)F)C1CCOC1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)5(9)4-1-2-10-3-4;/h4-6H,1-3,9H2;1H/t4?,5-;/m0./s1
InChIKeyOKVZBXDUKXVWTQ-YKXIHYLHSA-N
XLogP1.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride
CID 155822311
2,2-difluoro-1-(oxan-4-yl)ethanamine
CID 80604527
3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
CID 103311932
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870
(3R)-3-[(1S)-1-fluoropropyl]oxolane
CID 154655865
(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid
CID 129372213
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
CID 42614428
3-amino-2-(oxolan-3-yl)propane-1-thiol
CID 117238038
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride (CID 155821044) is (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride is Cl.N[C@H](C(F)F)C1CCOC1.
What is the InChIKey of (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride?
The InChIKey is OKVZBXDUKXVWTQ-YKXIHYLHSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)5(9)4-1-2-10-3-4;/h4-6H,1-3,9H2;1H/t4?,5-;/m0./s1.
What are the key properties of (1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride?
(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 1.04, 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-(oxolan-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 155821044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).