3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol

C12H15F2NOS — CID 103787915

IUPAC3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNC1CCSc2ccccc21)C(F)F
InChIInChI=1S/C12H15F2NOS/c13-12(14)10(16)7-15-9-5-6-17-11-4-2-1-3-8(9)11/h1-4,9-10,12,15-16H,5-7H2
InChIKeyJEWPCUVDNLTNQZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.44
Rot. Bonds4

About 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol

3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol (PubChem CID 103787915) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
PubChem CID103787915
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNC1CCSc2ccccc21)C(F)F
InChIInChI=1S/C12H15F2NOS/c13-12(14)10(16)7-15-9-5-6-17-11-4-2-1-3-8(9)11/h1-4,9-10,12,15-16H,5-7H2
InChIKeyJEWPCUVDNLTNQZ-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,2-difluoropropan-1-ol
CID 113463339
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol
CID 103787361
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 166197136
1-[4-[(2R)-3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-hydroxypropoxy]phenyl]ethanone
CID 40730913
4-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)butan-2-ol
CID 71915910
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzene-1,2-diol
CID 61317675

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol (CID 103787915) is 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol is OC(CNC1CCSc2ccccc21)C(F)F.
What is the InChIKey of 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol?
The InChIKey is JEWPCUVDNLTNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c13-12(14)10(16)7-15-9-5-6-17-11-4-2-1-3-8(9)11/h1-4,9-10,12,15-16H,5-7H2.
What are the key properties of 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol?
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol has a molecular weight of 259.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103787915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).