1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine

C9H16FNS — CID 84771289

IUPAC1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(CC2(F)CCSCC2)CC1
InChIInChI=1S/C9H16FNS/c10-8(3-5-12-6-4-8)7-9(11)1-2-9/h1-7,11H2
InChIKeyANAZHQGUKNEOOB-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.10
Rot. Bonds2

About 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine

1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine (PubChem CID 84771289) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine
PubChem CID84771289
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(CC2(F)CCSCC2)CC1
InChIInChI=1S/C9H16FNS/c10-8(3-5-12-6-4-8)7-9(11)1-2-9/h1-7,11H2
InChIKeyANAZHQGUKNEOOB-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine (CID 84771289) is 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine is NC1(CC2(F)CCSCC2)CC1.
What is the InChIKey of 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is ANAZHQGUKNEOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c10-8(3-5-12-6-4-8)7-9(11)1-2-9/h1-7,11H2.
What are the key properties of 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine?
1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorothian-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 84771289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).