N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine

C11H15F2NS — CID 165449464

IUPACN-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine
SMILESFC1(F)CCC(CNc2ccsc2)CC1
InChIInChI=1S/C11H15F2NS/c12-11(13)4-1-9(2-5-11)7-14-10-3-6-15-8-10/h3,6,8-9,14H,1-2,4-5,7H2
InChIKeyYKAZWPWQXVIWAL-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.99
Rot. Bonds3

About N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine

N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine (PubChem CID 165449464) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine
PubChem CID165449464
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine
SMILESFC1(F)CCC(CNc2ccsc2)CC1
InChIInChI=1S/C11H15F2NS/c12-11(13)4-1-9(2-5-11)7-14-10-3-6-15-8-10/h3,6,8-9,14H,1-2,4-5,7H2
InChIKeyYKAZWPWQXVIWAL-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine (CID 165449464) is N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine is FC1(F)CCC(CNc2ccsc2)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine?
The InChIKey is YKAZWPWQXVIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c12-11(13)4-1-9(2-5-11)7-14-10-3-6-15-8-10/h3,6,8-9,14H,1-2,4-5,7H2.
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine?
N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine has a molecular weight of 231.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]thiophen-3-amine is sourced from PubChem (CID 165449464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).