(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine

C12H11F2NOS — CID 171225773

IUPAC(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccc(OC(F)F)cc1)c1ccsc1
InChIInChI=1S/C12H11F2NOS/c13-12(14)16-10-3-1-8(2-4-10)11(15)9-5-6-17-7-9/h1-7,11-12H,15H2/t11-/m1/s1
InChIKeyQHKMXKODKBERBC-LLVKDONJSA-N
MW255.29 g/mol
LogP3.40
Rot. Bonds4

About (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine

(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine (PubChem CID 171225773) has the molecular formula C12H11F2NOS and a molecular weight of 255.29 g/mol. Its IUPAC name is (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
PubChem CID171225773
Molecular FormulaC12H11F2NOS
Molecular Weight255.29 g/mol
Exact Mass255.05
IUPAC Name(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccc(OC(F)F)cc1)c1ccsc1
InChIInChI=1S/C12H11F2NOS/c13-12(14)16-10-3-1-8(2-4-10)11(15)9-5-6-17-7-9/h1-7,11-12H,15H2/t11-/m1/s1
InChIKeyQHKMXKODKBERBC-LLVKDONJSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228385
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
[4-[(R)-amino(thiophen-3-yl)methyl]phenyl] acetate;hydrochloride
CID 171229424
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 80534844
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
CID 171211233
3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63017182
(R)-(6-methoxynaphthalen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218929
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
4-[(S)-amino(thiophen-3-yl)methyl]benzoic acid
CID 171198152

Frequently Asked Questions

What is the IUPAC name of (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine?
The IUPAC name of (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine (CID 171225773) is (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine is N[C@H](c1ccc(OC(F)F)cc1)c1ccsc1.
What is the InChIKey of (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine?
The InChIKey is QHKMXKODKBERBC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11F2NOS/c13-12(14)16-10-3-1-8(2-4-10)11(15)9-5-6-17-7-9/h1-7,11-12H,15H2/t11-/m1/s1.
What are the key properties of (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine?
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine has a molecular weight of 255.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine is sourced from PubChem (CID 171225773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).