(4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine

C7H8F2N2O — CID 105435723

IUPAC(4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
SMILESNCc1noc2c1C(F)(F)CC2
InChIInChI=1S/C7H8F2N2O/c8-7(9)2-1-5-6(7)4(3-10)11-12-5/h1-3,10H2
InChIKeyCNWHHBMEXIMEQW-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.17
Rot. Bonds1

About (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine

(4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine (PubChem CID 105435723) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
PubChem CID105435723
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name(4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
SMILESNCc1noc2c1C(F)(F)CC2
InChIInChI=1S/C7H8F2N2O/c8-7(9)2-1-5-6(7)4(3-10)11-12-5/h1-3,10H2
InChIKeyCNWHHBMEXIMEQW-UHFFFAOYSA-N
XLogP1.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-1,2-benzoxazol-3-ylmethanamine
CID 23006263
{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazol-3-yl}methanamine
CID 80461712
(5,5-Difluoro-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine hydrochloride
CID 145867140
6-fluoro-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
CID 89095932
3-(Trifluoromethyl)-4,5,6,7,8,9-hexahydrocycloocta[c][1,2]oxazole
CID 153530568
[5-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanamine
CID 80461907
3-(Trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
CID 83861264
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
CID 83861464
3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
CID 83861465
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine
CID 83861466
N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861468
[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861469

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine?
The IUPAC name of (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine (CID 105435723) is (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine.
What is the SMILES notation for (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine?
The canonical SMILES for (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine is NCc1noc2c1C(F)(F)CC2.
What is the InChIKey of (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine?
The InChIKey is CNWHHBMEXIMEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)2-1-5-6(7)4(3-10)11-12-5/h1-3,10H2.
What are the key properties of (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine?
(4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine has a molecular weight of 174.15 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine is sourced from PubChem (CID 105435723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).