4-(difluoromethoxymethyl)thian-4-amine

C7H13F2NOS — CID 84720898

IUPAC4-(difluoromethoxymethyl)thian-4-amine
SMILESNC1(COC(F)F)CCSCC1
InChIInChI=1S/C7H13F2NOS/c8-6(9)11-5-7(10)1-3-12-4-2-7/h6H,1-5,10H2
InChIKeyNKYUKTVCSIFCJB-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.45
Rot. Bonds3

About 4-(difluoromethoxymethyl)thian-4-amine

4-(difluoromethoxymethyl)thian-4-amine (PubChem CID 84720898) has the molecular formula C7H13F2NOS and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-(difluoromethoxymethyl)thian-4-amine.

Molecular Properties

Compound Name4-(difluoromethoxymethyl)thian-4-amine
PubChem CID84720898
Molecular FormulaC7H13F2NOS
Molecular Weight197.25 g/mol
Exact Mass197.07
IUPAC Name4-(difluoromethoxymethyl)thian-4-amine
SMILESNC1(COC(F)F)CCSCC1
InChIInChI=1S/C7H13F2NOS/c8-6(9)11-5-7(10)1-3-12-4-2-7/h6H,1-5,10H2
InChIKeyNKYUKTVCSIFCJB-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(difluoromethoxymethyl)cyclopentyl]methanamine
CID 130194759
3-(methoxymethyl)thiolan-3-amine
CID 83905010
[4-(aminooxymethyl)thian-4-yl]methanol
CID 105437212
1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine
CID 84771289
1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane
CID 175331863
[4-(difluoromethyl)thian-4-yl]methanol
CID 84768778
N-[1-(difluoromethoxymethyl)cyclobutyl]formamide
CID 144845240
1-(pentan-2-yloxymethyl)cyclohexan-1-amine
CID 107891879
1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
CID 167326750
1-(2,3,3,3-tetrafluoropropyl)cyclopropan-1-amine
CID 84731893
4-(1,1-difluoroethyl)thian-4-amine
CID 84768507

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxymethyl)thian-4-amine?
The IUPAC name of 4-(difluoromethoxymethyl)thian-4-amine (CID 84720898) is 4-(difluoromethoxymethyl)thian-4-amine.
What is the SMILES notation for 4-(difluoromethoxymethyl)thian-4-amine?
The canonical SMILES for 4-(difluoromethoxymethyl)thian-4-amine is NC1(COC(F)F)CCSCC1.
What is the InChIKey of 4-(difluoromethoxymethyl)thian-4-amine?
The InChIKey is NKYUKTVCSIFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NOS/c8-6(9)11-5-7(10)1-3-12-4-2-7/h6H,1-5,10H2.
What are the key properties of 4-(difluoromethoxymethyl)thian-4-amine?
4-(difluoromethoxymethyl)thian-4-amine has a molecular weight of 197.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxymethyl)thian-4-amine is sourced from PubChem (CID 84720898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).