(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride

C6H12ClF2NO — CID 146075399

IUPAC(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](C1CC1)C(F)(F)CO
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8,3-10)5(9)4-1-2-4;/h4-5,10H,1-3,9H2;1H/t5-;/m0./s1
InChIKeyMVSFJPVZJQSEQU-JEDNCBNOSA-N
MW187.62 g/mol
LogP0.77
Rot. Bonds3

About (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride

(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 146075399) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID146075399
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](C1CC1)C(F)(F)CO
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8,3-10)5(9)4-1-2-4;/h4-5,10H,1-3,9H2;1H/t5-;/m0./s1
InChIKeyMVSFJPVZJQSEQU-JEDNCBNOSA-N
XLogP0.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-cyclopropylpropan-1-ol hydrochloride
CID 53626267
2-Amino-3-cyclopropylpropan-1-ol hydrochloride
CID 86767657
3-Amino-3-cyclopropyl-2,2-difluoropropan-1-ol hydrochloride
CID 138027431
(3R)-3-amino-3-cyclopropylpropan-1-ol hydrochloride
CID 137944417
(2S,4S)-2-amino-5,5,5-trifluoro-4-methylpentan-1-ol;hydrochloride
CID 13675225
3-Amino-3-cyclopropylpropan-1-ol
CID 24729719
3-Amino-4-cyclopropyl-1,1,1-trifluorobutan-2-ol
CID 69526589
2-Amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol;hydrochloride
CID 118389674
3-Amino-3-cyclopropyl-2,2-difluoropropan-1-ol
CID 138027432
(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol
CID 146075400
(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol;hydrochloride
CID 169093192
2-Amino-2-(2,2-difluorocyclopropyl)ethanol;hydrochloride
CID 176348403

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride (CID 146075399) is (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@@H](C1CC1)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is MVSFJPVZJQSEQU-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8,3-10)5(9)4-1-2-4;/h4-5,10H,1-3,9H2;1H/t5-;/m0./s1.
What are the key properties of (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride?
(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 146075399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).