sulfane;1-(trifluoromethyl)cyclopropan-1-amine

C4H8F3NS — CID 159034051

IUPACsulfane;1-(trifluoromethyl)cyclopropan-1-amine
SMILESNC1(C(F)(F)F)CC1.S
InChIInChI=1S/C4H6F3N.H2S/c5-4(6,7)3(8)1-2-3;/h1-2,8H2;1H2
InChIKeySNWYHCAQGKMZLL-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.15
Rot. Bonds

About sulfane;1-(trifluoromethyl)cyclopropan-1-amine

sulfane;1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 159034051) has the molecular formula C4H8F3NS and a molecular weight of 159.18 g/mol. Its IUPAC name is sulfane;1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound Namesulfane;1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID159034051
Molecular FormulaC4H8F3NS
Molecular Weight159.18 g/mol
Exact Mass159.03
IUPAC Namesulfane;1-(trifluoromethyl)cyclopropan-1-amine
SMILESNC1(C(F)(F)F)CC1.S
InChIInChI=1S/C4H6F3N.H2S/c5-4(6,7)3(8)1-2-3;/h1-2,8H2;1H2
InChIKeySNWYHCAQGKMZLL-UHFFFAOYSA-N
XLogP1.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sulfane;1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of sulfane;1-(trifluoromethyl)cyclopropan-1-amine (CID 159034051) is sulfane;1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for sulfane;1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for sulfane;1-(trifluoromethyl)cyclopropan-1-amine is NC1(C(F)(F)F)CC1.S.
What is the InChIKey of sulfane;1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is SNWYHCAQGKMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N.H2S/c5-4(6,7)3(8)1-2-3;/h1-2,8H2;1H2.
What are the key properties of sulfane;1-(trifluoromethyl)cyclopropan-1-amine?
sulfane;1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 159.18 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 159034051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).