(4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine

C11H15F2NS — CID 105154084

IUPAC(4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine
SMILESNC(c1ccsc1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2NS/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h3,6-8,10H,1-2,4-5,14H2
InChIKeyCBADWQFZMFXTSP-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.57
Rot. Bonds2

About (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine

(4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine (PubChem CID 105154084) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine
PubChem CID105154084
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name(4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine
SMILESNC(c1ccsc1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2NS/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h3,6-8,10H,1-2,4-5,14H2
InChIKeyCBADWQFZMFXTSP-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine (CID 105154084) is (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine is NC(c1ccsc1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine?
The InChIKey is CBADWQFZMFXTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c12-11(13)4-1-8(2-5-11)10(14)9-3-6-15-7-9/h3,6-8,10H,1-2,4-5,14H2.
What are the key properties of (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine?
(4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine has a molecular weight of 231.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 105154084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).