6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine

C9H12FNS — CID 167506405

IUPAC6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine
SMILESNC1CCSC2=C1C=C(F)CC2
InChIInChI=1S/C9H12FNS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h5,8H,1-4,11H2
InChIKeyYTHAFEWZIVFRII-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.35
Rot. Bonds

About 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine

6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine (PubChem CID 167506405) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine
PubChem CID167506405
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine
SMILESNC1CCSC2=C1C=C(F)CC2
InChIInChI=1S/C9H12FNS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h5,8H,1-4,11H2
InChIKeyYTHAFEWZIVFRII-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-Fluoro-3-[4-(fluoromethylsulfanyl)cyclohexa-1,5-dien-1-yl]propan-2-amine
CID 129313233
3-(1,4-Dithiepan-2-yl)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 162546843
5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine
CID 163602540

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine (CID 167506405) is 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine is NC1CCSC2=C1C=C(F)CC2.
What is the InChIKey of 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine?
The InChIKey is YTHAFEWZIVFRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h5,8H,1-4,11H2.
What are the key properties of 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine?
6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine has a molecular weight of 185.27 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine is sourced from PubChem (CID 167506405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).