2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine

C10H17F2NO — CID 70240603

IUPAC2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine
SMILESCC1OCC=C[C@@]1(C)C(CN)C(F)F
InChIInChI=1S/C10H17F2NO/c1-7-10(2,4-3-5-14-7)8(6-13)9(11)12/h3-4,7-9H,5-6,13H2,1-2H3/t7?,8?,10-/m1/s1
InChIKeyBKLUKCLEERSEMU-SFVIPPHHSA-N
MW205.25 g/mol
LogP1.81
Rot. Bonds3

About 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine

2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine (PubChem CID 70240603) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine
PubChem CID70240603
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine
SMILESCC1OCC=C[C@@]1(C)C(CN)C(F)F
InChIInChI=1S/C10H17F2NO/c1-7-10(2,4-3-5-14-7)8(6-13)9(11)12/h3-4,7-9H,5-6,13H2,1-2H3/t7?,8?,10-/m1/s1
InChIKeyBKLUKCLEERSEMU-SFVIPPHHSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine?
The IUPAC name of 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine (CID 70240603) is 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine.
What is the SMILES notation for 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine?
The canonical SMILES for 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine is CC1OCC=C[C@@]1(C)C(CN)C(F)F.
What is the InChIKey of 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine?
The InChIKey is BKLUKCLEERSEMU-SFVIPPHHSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7-10(2,4-3-5-14-7)8(6-13)9(11)12/h3-4,7-9H,5-6,13H2,1-2H3/t7?,8?,10-/m1/s1.
What are the key properties of 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine?
2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine has a molecular weight of 205.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2,3-dimethyl-2,6-dihydropyran-3-yl]-3,3-difluoropropan-1-amine is sourced from PubChem (CID 70240603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).