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

C6H11F2NO — CID 146075400

IUPAC(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol
SMILESN[C@@H](C1CC1)C(F)(F)CO
InChIInChI=1S/C6H11F2NO/c7-6(8,3-10)5(9)4-1-2-4/h4-5,10H,1-3,9H2/t5-/m0/s1
InChIKeyYLTPDDYLADJIOU-YFKPBYRVSA-N
MW151.16 g/mol
LogP0.35
Rot. Bonds3

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

(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol (PubChem CID 146075400) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol
PubChem CID146075400
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol
SMILESN[C@@H](C1CC1)C(F)(F)CO
InChIInChI=1S/C6H11F2NO/c7-6(8,3-10)5(9)4-1-2-4/h4-5,10H,1-3,9H2/t5-/m0/s1
InChIKeyYLTPDDYLADJIOU-YFKPBYRVSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol?
The IUPAC name of (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol (CID 146075400) is (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol is N[C@@H](C1CC1)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol?
The InChIKey is YLTPDDYLADJIOU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8,3-10)5(9)4-1-2-4/h4-5,10H,1-3,9H2/t5-/m0/s1.
What are the key properties of (3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol?
(3S)-3-amino-3-cyclopropyl-2,2-difluoropropan-1-ol has a molecular weight of 151.16 g/mol, XLogP of 0.35, 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 is sourced from PubChem (CID 146075400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).